N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine

C19H38N2 — CID 62712605

IUPACN-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)(C)CC(C)(C)C
InChIInChI=1S/C19H38N2/c1-7-11-20-15-12-16-9-8-10-17(13-15)21(16)19(5,6)14-18(2,3)4/h15-17,20H,7-14H2,1-6H3
InChIKeyABXCNGXQHWACQZ-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.59
Rot. Bonds5

About N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine

N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712605) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712605
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC NameN-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCNC1CC2CCCC(C1)N2C(C)(C)CC(C)(C)C
InChIInChI=1S/C19H38N2/c1-7-11-20-15-12-16-9-8-10-17(13-15)21(16)19(5,6)14-18(2,3)4/h15-17,20H,7-14H2,1-6H3
InChIKeyABXCNGXQHWACQZ-UHFFFAOYSA-N
XLogP4.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

9-(3-methylpentan-3-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329570
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986
N-ethyl-9-(3-methylpentan-3-yl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106329578
8-(2,6-dimethylpiperidin-1-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83024323
N,2,2-trimethyl-3-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 106277918
9-(3-ethylpentan-2-yl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63841442
9-[(1-methylcyclopentyl)methyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 63831060
9-(2-methylsulfanylpropyl)-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466928
9-[(E)-pent-3-enyl]-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 113466133
8-(2-methylcyclopentyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 63281615
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79630966
2-[3-(propylamino)-9-azabicyclo[3.3.1]nonan-9-yl]propanamide
CID 62713460

Frequently Asked Questions

What is the IUPAC name of N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712605) is N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine is CCCNC1CC2CCCC(C1)N2C(C)(C)CC(C)(C)C.
What is the InChIKey of N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is ABXCNGXQHWACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-7-11-20-15-12-16-9-8-10-17(13-15)21(16)19(5,6)14-18(2,3)4/h15-17,20H,7-14H2,1-6H3.
What are the key properties of N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 294.53 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-9-(2,4,4-trimethylpentan-2-yl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).