[(1S)-cyclohex-3-en-1-yl]methanamine

C7H13N — CID 28607738

IUPAC[(1S)-cyclohex-3-en-1-yl]methanamine
SMILESNC[C@@H]1CC=CCC1
InChIInChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6,8H2/t7-/m1/s1
InChIKeyDNTZUCRLOISRPR-SSDOTTSWSA-N
MW111.19 g/mol
LogP1.30
Rot. Bonds1

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

[(1S)-cyclohex-3-en-1-yl]methanamine (PubChem CID 28607738) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is [(1S)-cyclohex-3-en-1-yl]methanamine.

Molecular Properties

Compound Name[(1S)-cyclohex-3-en-1-yl]methanamine
PubChem CID28607738
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name[(1S)-cyclohex-3-en-1-yl]methanamine
SMILESNC[C@@H]1CC=CCC1
InChIInChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6,8H2/t7-/m1/s1
InChIKeyDNTZUCRLOISRPR-SSDOTTSWSA-N
XLogP1.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-cyclohex-3-en-1-yl]methanamine?
The IUPAC name of [(1S)-cyclohex-3-en-1-yl]methanamine (CID 28607738) is [(1S)-cyclohex-3-en-1-yl]methanamine.
What is the SMILES notation for [(1S)-cyclohex-3-en-1-yl]methanamine?
The canonical SMILES for [(1S)-cyclohex-3-en-1-yl]methanamine is NC[C@@H]1CC=CCC1.
What is the InChIKey of [(1S)-cyclohex-3-en-1-yl]methanamine?
The InChIKey is DNTZUCRLOISRPR-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H13N/c8-6-7-4-2-1-3-5-7/h1-2,7H,3-6,8H2/t7-/m1/s1.
What are the key properties of [(1S)-cyclohex-3-en-1-yl]methanamine?
[(1S)-cyclohex-3-en-1-yl]methanamine has a molecular weight of 111.19 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-cyclohex-3-en-1-yl]methanamine is sourced from PubChem (CID 28607738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).