3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine

C17H33N3 — CID 79618741

IUPAC3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C17H33N3/c1-3-10-18-14-5-4-6-16(12-14)20-11-9-15-7-8-17(13-20)19(15)2/h14-18H,3-13H2,1-2H3
InChIKeyJEYUWHVQWSEZFW-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds4

About 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine

3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine (PubChem CID 79618741) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine
PubChem CID79618741
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(N2CCC3CCC(C2)N3C)C1
InChIInChI=1S/C17H33N3/c1-3-10-18-14-5-4-6-16(12-14)20-11-9-15-7-8-17(13-20)19(15)2/h14-18H,3-13H2,1-2H3
InChIKeyJEYUWHVQWSEZFW-UHFFFAOYSA-N
XLogP2.47
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine with MolForge

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Related Compounds

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79174695
N-ethyl-3-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79618174
3-(4-methyl-1,4-diazepan-1-yl)-N-propylcyclopentan-1-amine
CID 79642937
3-methyl-N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexan-1-amine
CID 79170964
3-(2-methylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79630966
2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79865651
3-(4-ethylpiperazin-1-yl)-N-propylcyclopentan-1-amine
CID 79642695
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79174696
3-(4-methylsulfonylpiperazin-1-yl)-N-propylcyclopentan-1-amine
CID 79642967
N-[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)ethyl]cyclohexanamine
CID 79118522
N-ethyl-1-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyrrolidin-3-amine
CID 65472979
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986

Frequently Asked Questions

What is the IUPAC name of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine (CID 79618741) is 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(N2CCC3CCC(C2)N3C)C1.
What is the InChIKey of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine?
The InChIKey is JEYUWHVQWSEZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-3-10-18-14-5-4-6-16(12-14)20-11-9-15-7-8-17(13-20)19(15)2/h14-18H,3-13H2,1-2H3.
What are the key properties of 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine?
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79618741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).