[5-(aminomethyl)cyclohex-3-en-1-yl]methanamine

C8H16N2 — CID 153322157

IUPAC[5-(aminomethyl)cyclohex-3-en-1-yl]methanamine
SMILESNCC1C=CCC(CN)C1
InChIInChI=1S/C8H16N2/c9-5-7-2-1-3-8(4-7)6-10/h1-2,7-8H,3-6,9-10H2
InChIKeyJZJNSPZZLHMJMP-UHFFFAOYSA-N
MW140.23 g/mol
LogP0.49
Rot. Bonds2

About [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine

[5-(aminomethyl)cyclohex-3-en-1-yl]methanamine (PubChem CID 153322157) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[5-(aminomethyl)cyclohex-3-en-1-yl]methanamine
PubChem CID153322157
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name[5-(aminomethyl)cyclohex-3-en-1-yl]methanamine
SMILESNCC1C=CCC(CN)C1
InChIInChI=1S/C8H16N2/c9-5-7-2-1-3-8(4-7)6-10/h1-2,7-8H,3-6,9-10H2
InChIKeyJZJNSPZZLHMJMP-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
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

cyclopent-2-en-1-ylmethanamine
CID 13040869
5-(2-methylpropyl)cyclohex-3-en-1-amine
CID 122592114
(5-aminocyclohex-3-en-1-yl)methanol
CID 73190674
(6-methylcyclohepta-2,4-dien-1-yl)methanamine
CID 143359820
[(5Z)-7-bicyclo[12.1.0]pentadec-5-enyl]methanamine
CID 166890494
2,2,2-trifluoroethyl N-[[5-[(2,2,2-trifluoroethoxycarbonylamino)methyl]cyclohex-2-en-1-yl]methyl]carbamate
CID 89388462
[(3E)-5-(aminomethyl)cyclooct-3-en-1-yl] acetate
CID 121370332
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
1-[(1R,5R)-5-(2-methylhexyl)cyclohex-3-en-1-yl]propan-2-ol
CID 71165998
(1S,5S)-5-(hydroxymethyl)cyclohex-2-en-1-ol
CID 11094632
4-(aminomethyl)-2-hydroxycyclohexane-1-carbonitrile
CID 123481160
[(1S,4R)-4-(aminomethyl)cyclopent-2-en-1-yl]methyl acetate
CID 10877544

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine?
The IUPAC name of [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine (CID 153322157) is [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine?
The canonical SMILES for [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine is NCC1C=CCC(CN)C1.
What is the InChIKey of [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine?
The InChIKey is JZJNSPZZLHMJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c9-5-7-2-1-3-8(4-7)6-10/h1-2,7-8H,3-6,9-10H2.
What are the key properties of [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine?
[5-(aminomethyl)cyclohex-3-en-1-yl]methanamine has a molecular weight of 140.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)cyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 153322157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).