methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine

C32H74N6 — CID 159024491

IUPACmethane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1
InChIInChI=1S/C7H13N.2C6H13N.C5H12N2.C5H11N.3CH4/c1-8-5-6-2-3-7(8)4-6;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-4-2-3-5-6;;;/h6-7H,2-5H2,1H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;3*1H4
InChIKeyJUCTUFUWHSFRPT-UHFFFAOYSA-N
MW542.99 g/mol
LogP5.45
Rot. Bonds

About methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine

methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine (PubChem CID 159024491) has the molecular formula C32H74N6 and a molecular weight of 542.99 g/mol. Its IUPAC name is methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine.

Molecular Properties

Compound Namemethane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
PubChem CID159024491
Molecular FormulaC32H74N6
Molecular Weight542.99 g/mol
Exact Mass542.60
IUPAC Namemethane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
SMILESC.C.C.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1
InChIInChI=1S/C7H13N.2C6H13N.C5H12N2.C5H11N.3CH4/c1-8-5-6-2-3-7(8)4-6;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-4-2-3-5-6;;;/h6-7H,2-5H2,1H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;3*1H4
InChIKeyJUCTUFUWHSFRPT-UHFFFAOYSA-N
XLogP5.45
TPSA28.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.99
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-Bis(2-methylpropyl)-2,5-diazabicyclo[2.2.1]heptane;1,4-bis(2-methylpropyl)piperazine;bis(1,4-bis(2-methylpropyl)piperidine);1,3-bis(2-methylpropyl)pyrrolidine
CID 157403411
1-Tert-butyl-4-(1-methylpyrrolidin-2-yl)piperidine;1-tert-butyl-4-piperidin-1-ylpiperidine;1-tert-butyl-4-pyrrolidin-2-ylpiperidine
CID 157739740
(3R)-1-tert-butyl-3-ethylpiperidine;(3R,4S)-1-tert-butyl-4-methylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;(3R)-1-tert-butylpyrrolidin-3-amine;[(3R)-1-tert-butylpyrrolidin-3-yl]methanamine
CID 158059156
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 158983675
2,2-dimethyl-1,4-di(propan-2-yl)piperazine;N,N-dimethyl-4-(2-methylpropyl)-1-propan-2-ylpyrrolidin-3-amine;1,4-di(propan-2-yl)piperazine;bis(N,1-di(propan-2-yl)piperidin-3-amine);3-methyl-3-(2-methylpropyl)-1-propan-2-ylpyrrolidine
CID 159600647
Ethane;2-propan-2-yl-2-azabicyclo[2.2.1]heptane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;tris(1-propan-2-ylpiperidine)
CID 159638837
(3R)-1-tert-butyl-3-ethylpiperidine;(3R,4S)-1-tert-butyl-4-methylpiperidin-3-amine;(3R)-1-tert-butylpiperidin-3-amine;[(3S)-1-tert-butylpyrrolidin-3-yl]methanamine;[(3R)-1-tert-butylpyrrolidin-3-yl]methanamine
CID 159655833
N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;3-methyl-N-propan-2-ylbutan-1-amine
CID 159987408
N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine
CID 160063382
Methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160109137
N,3-dimethyl-N-propan-2-ylbutan-1-amine;1,3-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperidine;(3R)-1,3-di(propan-2-yl)piperidine;(3S)-1,3-di(propan-2-yl)piperidine;1,3-di(propan-2-yl)pyrrolidine;(3S)-1,3-di(propan-2-yl)pyrrolidine;(3R)-1,3-di(propan-2-yl)pyrrolidine;methane;3-methyl-N-propan-2-ylbutan-1-amine
CID 160277915
2-Methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine
CID 160384806

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine?
The IUPAC name of methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine (CID 159024491) is methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine.
What is the SMILES notation for methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine?
The canonical SMILES for methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine is C.C.C.CN1CC2CCC1C2.CN1CCCC1.CN1CCCCC1.CN1CCCCC1.CN1CCNCC1.
What is the InChIKey of methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine?
The InChIKey is JUCTUFUWHSFRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.2C6H13N.C5H12N2.C5H11N.3CH4/c1-8-5-6-2-3-7(8)4-6;2*1-7-5-3-2-4-6-7;1-7-4-2-6-3-5-7;1-6-4-2-3-5-6;;;/h6-7H,2-5H2,1H3;2*2-6H2,1H3;6H,2-5H2,1H3;2-5H2,1H3;3*1H4.
What are the key properties of methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine?
methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine has a molecular weight of 542.99 g/mol, XLogP of 5.45, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-2-azabicyclo[2.2.1]heptane;1-methylpiperazine;bis(1-methylpiperidine);1-methylpyrrolidine is sourced from PubChem (CID 159024491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).