3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane

C19H38N2 — CID 10685250

IUPAC3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCCC1(CCC)C2CN(C(C)C)CC1CN(C(C)C)C2
InChIInChI=1S/C19H38N2/c1-7-9-19(10-8-2)17-11-20(15(3)4)12-18(19)14-21(13-17)16(5)6/h15-18H,7-14H2,1-6H3
InChIKeyMTNIELJZZVPDGP-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.25
Rot. Bonds6

About 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane

3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 10685250) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane
PubChem CID10685250
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane
SMILESCCCC1(CCC)C2CN(C(C)C)CC1CN(C(C)C)C2
InChIInChI=1S/C19H38N2/c1-7-9-19(10-8-2)17-11-20(15(3)4)12-18(19)14-21(13-17)16(5)6/h15-18H,7-14H2,1-6H3
InChIKeyMTNIELJZZVPDGP-UHFFFAOYSA-N
XLogP4.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane (CID 10685250) is 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane is CCCC1(CCC)C2CN(C(C)C)CC1CN(C(C)C)C2.
What is the InChIKey of 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is MTNIELJZZVPDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-7-9-19(10-8-2)17-11-20(15(3)4)12-18(19)14-21(13-17)16(5)6/h15-18H,7-14H2,1-6H3.
What are the key properties of 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane?
3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 294.53 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-di(propan-2-yl)-9,9-dipropyl-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 10685250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).