1-(aminomethyl)cyclohexan-1-amine

C7H16N2 — CID 21150

IUPAC1-(aminomethyl)cyclohexan-1-amine
SMILESNCC1(N)CCCCC1
InChIInChI=1S/C7H16N2/c8-6-7(9)4-2-1-3-5-7/h1-6,8-9H2
InChIKeyQCDMSCUTQSXHCU-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.61
Rot. Bonds1

About 1-(aminomethyl)cyclohexan-1-amine

1-(aminomethyl)cyclohexan-1-amine (PubChem CID 21150) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 1-(aminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)cyclohexan-1-amine
PubChem CID21150
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name1-(aminomethyl)cyclohexan-1-amine
SMILESNCC1(N)CCCCC1
InChIInChI=1S/C7H16N2/c8-6-7(9)4-2-1-3-5-7/h1-6,8-9H2
InChIKeyQCDMSCUTQSXHCU-UHFFFAOYSA-N
XLogP0.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Aminocyclohexanemethanamine
CID 445021
1-(Aminomethyl)cyclohexan-1-amine dihydrochloride
CID 17561160
1-Cyclohexylethane-1,2-diamine
CID 18705586
Cyclohexylmethylazanium
CID 448748
(1R,2R)-N,N inverted exclamation mark-Dimethyl-1,2-cyclohexanediamine
CID 17943838
1-(3-Aminopropyl)cyclohexan-1-amine
CID 17946671
3-Cyclohexylpropane-1,2-diamine
CID 23346802
cis-(1R,3S)-3-(aminomethyl)cyclohexan-1-amine
CID 52324609
(1R,3R)-3-(Aminomethyl)cyclohexan-1-amine
CID 52324611
1-(Aminomethyl)-4,4-difluorocyclohexan-1-amine
CID 165905713
1-(2-Aminoethyl)cyclohexan-1-amine
CID 10558730
(1S)-1-cyclohexylethane-1,2-diamine
CID 10877224

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)cyclohexan-1-amine (CID 21150) is 1-(aminomethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)cyclohexan-1-amine is NCC1(N)CCCCC1.
What is the InChIKey of 1-(aminomethyl)cyclohexan-1-amine?
The InChIKey is QCDMSCUTQSXHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c8-6-7(9)4-2-1-3-5-7/h1-6,8-9H2.
What are the key properties of 1-(aminomethyl)cyclohexan-1-amine?
1-(aminomethyl)cyclohexan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 21150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).