(1R)-N-butyl-4-methylcyclohex-3-en-1-amine

C11H21N — CID 89370535

IUPAC(1R)-N-butyl-4-methylcyclohex-3-en-1-amine
SMILESCCCCN[C@H]1CC=C(C)CC1
InChIInChI=1S/C11H21N/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5,11-12H,3-4,6-9H2,1-2H3/t11-/m0/s1
InChIKeyWYFWGCKWKAYNCX-NSHDSACASA-N
MW167.30 g/mol
LogP2.87
Rot. Bonds4

About (1R)-N-butyl-4-methylcyclohex-3-en-1-amine

(1R)-N-butyl-4-methylcyclohex-3-en-1-amine (PubChem CID 89370535) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1R)-N-butyl-4-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R)-N-butyl-4-methylcyclohex-3-en-1-amine
PubChem CID89370535
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1R)-N-butyl-4-methylcyclohex-3-en-1-amine
SMILESCCCCN[C@H]1CC=C(C)CC1
InChIInChI=1S/C11H21N/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5,11-12H,3-4,6-9H2,1-2H3/t11-/m0/s1
InChIKeyWYFWGCKWKAYNCX-NSHDSACASA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-butyl-4-methylcyclohex-3-en-1-amine?
The IUPAC name of (1R)-N-butyl-4-methylcyclohex-3-en-1-amine (CID 89370535) is (1R)-N-butyl-4-methylcyclohex-3-en-1-amine.
What is the SMILES notation for (1R)-N-butyl-4-methylcyclohex-3-en-1-amine?
The canonical SMILES for (1R)-N-butyl-4-methylcyclohex-3-en-1-amine is CCCCN[C@H]1CC=C(C)CC1.
What is the InChIKey of (1R)-N-butyl-4-methylcyclohex-3-en-1-amine?
The InChIKey is WYFWGCKWKAYNCX-NSHDSACASA-N. The full InChI is InChI=1S/C11H21N/c1-3-4-9-12-11-7-5-10(2)6-8-11/h5,11-12H,3-4,6-9H2,1-2H3/t11-/m0/s1.
What are the key properties of (1R)-N-butyl-4-methylcyclohex-3-en-1-amine?
(1R)-N-butyl-4-methylcyclohex-3-en-1-amine has a molecular weight of 167.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-butyl-4-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 89370535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).