[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine

C16H31N3 — CID 79170228

IUPAC[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
SMILESCN1C2CCC1CN(CC1(CN)CCCCC1)CC2
InChIInChI=1S/C16H31N3/c1-18-14-5-6-15(18)11-19(10-7-14)13-16(12-17)8-3-2-4-9-16/h14-15H,2-13,17H2,1H3
InChIKeyPOKFOOURMADYQT-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.06
Rot. Bonds3

About [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine

[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine (PubChem CID 79170228) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
PubChem CID79170228
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
SMILESCN1C2CCC1CN(CC1(CN)CCCCC1)CC2
InChIInChI=1S/C16H31N3/c1-18-14-5-6-15(18)11-19(10-7-14)13-16(12-17)8-3-2-4-9-16/h14-15H,2-13,17H2,1H3
InChIKeyPOKFOOURMADYQT-UHFFFAOYSA-N
XLogP2.06
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

Analyze [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine with MolForge

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Related Compounds

1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-ol
CID 115277735
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
[1-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]cyclopropyl]methanamine
CID 115453856
1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 79170953
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 113417909
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
[1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclohexyl]methanamine
CID 104678907
1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
CID 115449099
[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
CID 114196547

Frequently Asked Questions

What is the IUPAC name of [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine?
The IUPAC name of [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine (CID 79170228) is [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine?
The canonical SMILES for [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine is CN1C2CCC1CN(CC1(CN)CCCCC1)CC2.
What is the InChIKey of [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine?
The InChIKey is POKFOOURMADYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-18-14-5-6-15(18)11-19(10-7-14)13-16(12-17)8-3-2-4-9-16/h14-15H,2-13,17H2,1H3.
What are the key properties of [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine?
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 79170228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).