(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine

C7H14N2 — CID 15811480

IUPAC(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine
SMILESNC[C@@H]1CC=CC[C@H]1N
InChIInChI=1S/C7H14N2/c8-5-6-3-1-2-4-7(6)9/h1-2,6-7H,3-5,8-9H2/t6-,7+/m0/s1
InChIKeyJDSRZTSRTLZLQW-NKWVEPMBSA-N
MW126.20 g/mol
LogP0.24
Rot. Bonds1

About (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine

(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine (PubChem CID 15811480) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine
PubChem CID15811480
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine
SMILESNC[C@@H]1CC=CC[C@H]1N
InChIInChI=1S/C7H14N2/c8-5-6-3-1-2-4-7(6)9/h1-2,6-7H,3-5,8-9H2/t6-,7+/m0/s1
InChIKeyJDSRZTSRTLZLQW-NKWVEPMBSA-N
XLogP0.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.24
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

1-(Cyclohex-3-en-1-yl)methanamine
CID 13512621
2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
(2-Cyclohexen-1-ylmethyl)amine
CID 13237355
Ethylamine, 2-(2-cyclopentenyl)-1-methyl-
CID 49663
2-(Cyclopent-2-en-1-yl)ethan-1-amine
CID 19703421
1-((1S)-cyclohex-3-en-1-yl)methanamine
CID 28607738
rac-(1R,6S,7R)-bicyclo[4.1.0]hept-2-en-7-amine hydrochloride
CID 55283739
2-[(1S)-cyclohex-3-en-1-yl]ethan-1-amine
CID 92981480
1-(Cyclohex-2-en-1-yl)methanamine hydrochloride
CID 165837880
rac-(1R,6S,7R)-bicyclo[4.1.0]hept-3-en-7-amine hydrochloride
CID 177798553
2-Cyclohex-2-en-1-ylethanamine
CID 21432851
Bicyclo[2.2.1]hept-2-en-7-amine
CID 22292228

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
The IUPAC name of (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine (CID 15811480) is (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
The canonical SMILES for (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine is NC[C@@H]1CC=CC[C@H]1N.
What is the InChIKey of (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
The InChIKey is JDSRZTSRTLZLQW-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H14N2/c8-5-6-3-1-2-4-7(6)9/h1-2,6-7H,3-5,8-9H2/t6-,7+/m0/s1.
What are the key properties of (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
(1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine has a molecular weight of 126.20 g/mol, XLogP of 0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-(aminomethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 15811480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).