[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine

C16H31N3 — CID 79174757

IUPAC[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine
SMILESCN1C2CCC1CN(C1CCCCCC1CN)CC2
InChIInChI=1S/C16H31N3/c1-18-14-7-8-15(18)12-19(10-9-14)16-6-4-2-3-5-13(16)11-17/h13-16H,2-12,17H2,1H3
InChIKeyHLEOAQGCUBJMTA-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.06
Rot. Bonds2

About [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine

[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine (PubChem CID 79174757) 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)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine
PubChem CID79174757
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine
SMILESCN1C2CCC1CN(C1CCCCCC1CN)CC2
InChIInChI=1S/C16H31N3/c1-18-14-7-8-15(18)12-19(10-9-14)16-6-4-2-3-5-13(16)11-17/h13-16H,2-12,17H2,1H3
InChIKeyHLEOAQGCUBJMTA-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-piperidin-1-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 55158006
1-[2-(aminomethyl)cycloheptyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166414
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclooctan-1-amine
CID 79166371
[2-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 63171645
N-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexan-1-amine
CID 79175318
[2-(3-methylazetidin-1-yl)cycloheptyl]methanamine
CID 164661715
[2-(azepan-1-yl)cyclopentyl]methanamine
CID 43293383
N-ethyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentan-1-amine
CID 79174696
[2-(4-methylpiperidin-1-yl)cyclopentyl]methanamine
CID 43293313
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethanamine;dihydrochloride
CID 50944349
[(9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methanamine;hydrochloride
CID 119056746
[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanamine
CID 129361363

Frequently Asked Questions

What is the IUPAC name of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine?
The IUPAC name of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine (CID 79174757) is [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine?
The canonical SMILES for [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine is CN1C2CCC1CN(C1CCCCCC1CN)CC2.
What is the InChIKey of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine?
The InChIKey is HLEOAQGCUBJMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-18-14-7-8-15(18)12-19(10-9-14)16-6-4-2-3-5-13(16)11-17/h13-16H,2-12,17H2,1H3.
What are the key properties of [2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine?
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cycloheptyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 2.06, 2 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)cycloheptyl]methanamine is sourced from PubChem (CID 79174757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).