[2-(aminomethyl)cyclohexen-1-yl]methanamine

C8H16N2 — CID 22286870

IUPAC[2-(aminomethyl)cyclohexen-1-yl]methanamine
SMILESNCC1=C(CN)CCCC1
InChIInChI=1S/C8H16N2/c9-5-7-3-1-2-4-8(7)6-10/h1-6,9-10H2
InChIKeyCDYHRZSFLXSHAD-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.77
Rot. Bonds2

About [2-(aminomethyl)cyclohexen-1-yl]methanamine

[2-(aminomethyl)cyclohexen-1-yl]methanamine (PubChem CID 22286870) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexen-1-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexen-1-yl]methanamine
PubChem CID22286870
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name[2-(aminomethyl)cyclohexen-1-yl]methanamine
SMILESNCC1=C(CN)CCCC1
InChIInChI=1S/C8H16N2/c9-5-7-3-1-2-4-8(7)6-10/h1-6,9-10H2
InChIKeyCDYHRZSFLXSHAD-UHFFFAOYSA-N
XLogP0.77
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethylcyclohex-2-en-1-amine hydrochloride
CID 145867474
2,4,5-Trihydrophenylpropylamine
CID 13247222
2,3-Dimethylcyclohex-2-en-1-amine
CID 55285105
[2-(Trifluoromethyl)cyclohexen-1-yl]methanamine
CID 84022217
[2-(Aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine
CID 15278039
[2-(Aminomethyl)cyclopenten-1-yl]methanamine
CID 15278044
4-(Cyclohexen-1-yl)butan-1-amine
CID 21825422
[(1E)-cycloocten-1-yl]methanediamine
CID 22286843
[(1E)-cycloocten-1-yl]methanamine
CID 22286912
[(1Z)-2-(aminomethyl)cycloocten-1-yl]methanamine
CID 22286913
Azane;2-(cyclohexen-1-yl)ethanamine
CID 22644426
[2-(Aminomethyl)-4,5-dimethylcyclohexa-1,4-dien-1-yl]methanamine;hydrochloride
CID 23366317

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexen-1-yl]methanamine?
The IUPAC name of [2-(aminomethyl)cyclohexen-1-yl]methanamine (CID 22286870) is [2-(aminomethyl)cyclohexen-1-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)cyclohexen-1-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)cyclohexen-1-yl]methanamine is NCC1=C(CN)CCCC1.
What is the InChIKey of [2-(aminomethyl)cyclohexen-1-yl]methanamine?
The InChIKey is CDYHRZSFLXSHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-5-7-3-1-2-4-8(7)6-10/h1-6,9-10H2.
What are the key properties of [2-(aminomethyl)cyclohexen-1-yl]methanamine?
[2-(aminomethyl)cyclohexen-1-yl]methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexen-1-yl]methanamine is sourced from PubChem (CID 22286870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).