(1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine

C7H14N2 — CID 59710846

IUPAC(1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine
SMILESC[C@@H]1C=C[C@@H](N)C[C@H]1N
InChIInChI=1S/C7H14N2/c1-5-2-3-6(8)4-7(5)9/h2-3,5-7H,4,8-9H2,1H3/t5-,6-,7-/m1/s1
InChIKeyMDHGDMUQLWQUKI-FSDSQADBSA-N
MW126.20 g/mol
LogP0.24
Rot. Bonds

About (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine

(1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine (PubChem CID 59710846) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine.

Molecular Properties

Compound Name(1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine
PubChem CID59710846
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine
SMILESC[C@@H]1C=C[C@@H](N)C[C@H]1N
InChIInChI=1S/C7H14N2/c1-5-2-3-6(8)4-7(5)9/h2-3,5-7H,4,8-9H2,1H3/t5-,6-,7-/m1/s1
InChIKeyMDHGDMUQLWQUKI-FSDSQADBSA-N
XLogP0.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
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

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
4,4-Dimethylcyclohex-2-en-1-amine
CID 55290143
(2-Cyclohexen-1-ylmethyl)amine
CID 13237355
N,N,1,3,4,4,5,5,6-nonadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 140142280
4-Methyl-1,3-cyclohexendiamine
CID 153683932
2-Fluoro-4-methylcyclohex-2-en-1-amine
CID 68309671
5-Fluoro-4-methylcyclohex-2-en-1-amine
CID 68331760
(2R)-5-fluoro-2,5-dimethylcyclohex-3-en-1-amine
CID 173993405
(1S,4R)-cyclohex-2-ene-1,4-diamine
CID 135035302
N,N,1,5,5,6-hexadeuterio-2,6-dimethylcyclohex-2-en-1-amine
CID 168355301
4-(Trifluoromethyl)cyclohex-2-en-1-amine
CID 147261835
6-Methylcyclohex-2-en-1-amine
CID 14291798

Frequently Asked Questions

What is the IUPAC name of (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine?
The IUPAC name of (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine (CID 59710846) is (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine.
What is the SMILES notation for (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine?
The canonical SMILES for (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine is C[C@@H]1C=C[C@@H](N)C[C@H]1N.
What is the InChIKey of (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine?
The InChIKey is MDHGDMUQLWQUKI-FSDSQADBSA-N. The full InChI is InChI=1S/C7H14N2/c1-5-2-3-6(8)4-7(5)9/h2-3,5-7H,4,8-9H2,1H3/t5-,6-,7-/m1/s1.
What are the key properties of (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine?
(1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine has a molecular weight of 126.20 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,6R)-6-methylcyclohex-4-ene-1,3-diamine is sourced from PubChem (CID 59710846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).