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

C7H14N2 — CID 15811479

IUPAC(1S,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-BQBZGAKWSA-N
MW126.20 g/mol
LogP0.24
Rot. Bonds1

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

(1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine (PubChem CID 15811479) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine
PubChem CID15811479
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1S,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-BQBZGAKWSA-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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Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
The IUPAC name of (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine (CID 15811479) is (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
The canonical SMILES for (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine is NC[C@@H]1CC=CC[C@@H]1N.
What is the InChIKey of (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
The InChIKey is JDSRZTSRTLZLQW-BQBZGAKWSA-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 (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine?
(1S,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 (1S,6S)-6-(aminomethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 15811479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).