2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane

C33H62N4 — CID 158570577

IUPAC2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1C2CCC1N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC(C1)N2C.CN1CC2CCC1C2
InChIInChI=1S/2C9H17N.C8H15N.C7H13N/c2*1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-4-8(6)9(2)5-7;1-8-5-6-2-3-7(8)4-6/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyHSAIPHKQCWDXTC-UHFFFAOYSA-N
MW514.89 g/mol
LogP6.21
Rot. Bonds

About 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane

2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane (PubChem CID 158570577) has the molecular formula C33H62N4 and a molecular weight of 514.89 g/mol. Its IUPAC name is 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane
PubChem CID158570577
Molecular FormulaC33H62N4
Molecular Weight514.89 g/mol
Exact Mass514.50
IUPAC Name2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane
SMILESCC1C2CCC1N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC(C1)N2C.CN1CC2CCC1C2
InChIInChI=1S/2C9H17N.C8H15N.C7H13N/c2*1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-4-8(6)9(2)5-7;1-8-5-6-2-3-7(8)4-6/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyHSAIPHKQCWDXTC-UHFFFAOYSA-N
XLogP6.21
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.89
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane 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

Bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)
CID 157233278
Bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)
CID 157778641
Bis(2,5-dimethyl-2-azabicyclo[2.2.1]heptane);tris(2,6-dimethyl-2-azabicyclo[2.2.1]heptane);bis(2,7-dimethyl-2-azabicyclo[2.2.1]heptane);2,7-dimethyl-7-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane)
CID 158668905
(1R,5S)-3,8-di(propan-2-yl)-3-azabicyclo[3.2.1]octane;(1S,5R)-3,8-di(propan-2-yl)-8-azabicyclo[3.2.1]octane;(1S,4S)-2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane;(1S,5R)-3,8-di(propan-2-yl)-3,8-diazabicyclo[3.2.1]octane
CID 159909911
2,5-Ditert-butyl-2-azabicyclo[2.2.1]heptane;3,8-ditert-butyl-8-azabicyclo[3.2.1]octane;1,4-ditert-butylpiperidine;1,2-ditert-butylpyrrolidine;1,3-ditert-butylpyrrolidine;ethane
CID 160505363
Bis(2,5-di(propan-2-yl)-2-azabicyclo[2.2.1]heptane);2,5-di(propan-2-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 165075194

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane (CID 158570577) is 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane is CC1C2CCC1N(C)C2.CC1CC2CCC(C1)N2C.CC1CC2CCC(C1)N2C.CN1CC2CCC1C2.
What is the InChIKey of 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane?
The InChIKey is HSAIPHKQCWDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H17N.C8H15N.C7H13N/c2*1-7-5-8-3-4-9(6-7)10(8)2;1-6-7-3-4-8(6)9(2)5-7;1-8-5-6-2-3-7(8)4-6/h2*7-9H,3-6H2,1-2H3;6-8H,3-5H2,1-2H3;6-7H,2-5H2,1H3.
What are the key properties of 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane?
2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane has a molecular weight of 514.89 g/mol, XLogP of 6.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-2-azabicyclo[2.2.1]heptane;bis(3,8-dimethyl-8-azabicyclo[3.2.1]octane);2-methyl-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 158570577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).