methane;1-methylpiperidine;bis(1-methylpyrrolidine)

C18H43N3 — CID 158442091

IUPACmethane;1-methylpiperidine;bis(1-methylpyrrolidine)
SMILESC.C.CN1CCCC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.2C5H11N.2CH4/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;;/h2-6H2,1H3;2*2-5H2,1H3;2*1H4
InChIKeyHCYFNMDZWYGTNR-UHFFFAOYSA-N
MW301.56 g/mol
LogP3.80
Rot. Bonds

About methane;1-methylpiperidine;bis(1-methylpyrrolidine)

methane;1-methylpiperidine;bis(1-methylpyrrolidine) (PubChem CID 158442091) has the molecular formula C18H43N3 and a molecular weight of 301.56 g/mol. Its IUPAC name is methane;1-methylpiperidine;bis(1-methylpyrrolidine).

Molecular Properties

Compound Namemethane;1-methylpiperidine;bis(1-methylpyrrolidine)
PubChem CID158442091
Molecular FormulaC18H43N3
Molecular Weight301.56 g/mol
Exact Mass301.35
IUPAC Namemethane;1-methylpiperidine;bis(1-methylpyrrolidine)
SMILESC.C.CN1CCCC1.CN1CCCC1.CN1CCCCC1
InChIInChI=1S/C6H13N.2C5H11N.2CH4/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;;/h2-6H2,1H3;2*2-5H2,1H3;2*1H4
InChIKeyHCYFNMDZWYGTNR-UHFFFAOYSA-N
XLogP3.80
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methane;1-methylpiperidine;bis(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

methane;tris(1-methylpiperidine)
CID 162076357
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
azane;ethane;methane;1-methylpiperidine
CID 159571038
CID 68772535
CID 68772535
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
bis(cyclopentane);methane;tris(2-methylpropane);1-methylpyrrolidine
CID 164988773
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
methanamine;1-methylazepane
CID 142229560
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096

Frequently Asked Questions

What is the IUPAC name of methane;1-methylpiperidine;bis(1-methylpyrrolidine)?
The IUPAC name of methane;1-methylpiperidine;bis(1-methylpyrrolidine) (CID 158442091) is methane;1-methylpiperidine;bis(1-methylpyrrolidine).
What is the SMILES notation for methane;1-methylpiperidine;bis(1-methylpyrrolidine)?
The canonical SMILES for methane;1-methylpiperidine;bis(1-methylpyrrolidine) is C.C.CN1CCCC1.CN1CCCC1.CN1CCCCC1.
What is the InChIKey of methane;1-methylpiperidine;bis(1-methylpyrrolidine)?
The InChIKey is HCYFNMDZWYGTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.2C5H11N.2CH4/c1-7-5-3-2-4-6-7;2*1-6-4-2-3-5-6;;/h2-6H2,1H3;2*2-5H2,1H3;2*1H4.
What are the key properties of methane;1-methylpiperidine;bis(1-methylpyrrolidine)?
methane;1-methylpiperidine;bis(1-methylpyrrolidine) has a molecular weight of 301.56 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-methylpiperidine;bis(1-methylpyrrolidine) is sourced from PubChem (CID 158442091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).