2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine

C16H31N3 — CID 79174695

IUPAC2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H31N3/c1-3-10-17-15-5-4-6-16(15)19-11-9-13-7-8-14(12-19)18(13)2/h13-17H,3-12H2,1-2H3
InChIKeyBBVWXARNMXFRKF-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.08
Rot. Bonds4

About 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine

2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine (PubChem CID 79174695) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
PubChem CID79174695
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1N1CCC2CCC(C1)N2C
InChIInChI=1S/C16H31N3/c1-3-10-17-15-5-4-6-16(15)19-11-9-13-7-8-14(12-19)18(13)2/h13-17H,3-12H2,1-2H3
InChIKeyBBVWXARNMXFRKF-UHFFFAOYSA-N
XLogP2.08
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79174696
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
CID 79166371
N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
CID 79175318
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-propylcyclohexan-1-amine
CID 79938748
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclohexan-1-amine
CID 79618741
2,2-dimethyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine
CID 79865651
2-(4-propan-2-ylpiperidin-1-yl)-N-propylcyclooctan-1-amine
CID 103494992
N-propyl-2-(3,4,5-trimethylpiperazin-1-yl)cyclohexan-1-amine
CID 114537740
2-(3-phenylpyrrolidin-1-yl)-N-propylcyclopentan-1-amine
CID 62133940
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclohexan-1-amine
CID 79187934
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-N-propylcyclopentan-1-amine
CID 66394027
2-(3,4-dimethylpyrrolidin-1-yl)-N-propylcyclooctan-1-amine
CID 79188224

Frequently Asked Questions

What is the IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine?
The IUPAC name of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine (CID 79174695) is 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine is CCCNC1CCCC1N1CCC2CCC(C1)N2C.
What is the InChIKey of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine?
The InChIKey is BBVWXARNMXFRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-3-10-17-15-5-4-6-16(15)19-11-9-13-7-8-14(12-19)18(13)2/h13-17H,3-12H2,1-2H3.
What are the key properties of 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine?
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79174695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).