(2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine

C13H25N — CID 70312685

IUPAC(2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine
SMILESCCCC1=CCC(CC[C@H](C)N)CC1
InChIInChI=1S/C13H25N/c1-3-4-12-7-9-13(10-8-12)6-5-11(2)14/h7,11,13H,3-6,8-10,14H2,1-2H3/t11-,13?/m0/s1
InChIKeyQHOBBXIVSFOSIO-AMGKYWFPSA-N
MW195.35 g/mol
LogP3.64
Rot. Bonds5

About (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine

(2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine (PubChem CID 70312685) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine.

Molecular Properties

Compound Name(2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine
PubChem CID70312685
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine
SMILESCCCC1=CCC(CC[C@H](C)N)CC1
InChIInChI=1S/C13H25N/c1-3-4-12-7-9-13(10-8-12)6-5-11(2)14/h7,11,13H,3-6,8-10,14H2,1-2H3/t11-,13?/m0/s1
InChIKeyQHOBBXIVSFOSIO-AMGKYWFPSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyloct-6-en-1-amine
CID 3016807
2-(Cyclohexen-1-yl)cyclopropan-1-amine
CID 156013258
(2S)-6-methyl-2-[(1R)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-amine
CID 11390413
2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
3,7-Dimethyloct-7-enylazanium
CID 72200507
3-Cyclohexene-1-methanamine, alpha,alpha,4-trimethyl-
CID 547150
Ethylamine, 2-(2-cyclopentenyl)-1-methyl-
CID 49663
poly(beta-D-mannuronate) lyase
CID 168356126
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
(S)-2-(4-Methylcyclohex-3-en-1-yl)propan-2-amine
CID 15736831
1-(Cyclohex-1-en-1-yl)propan-2-amine
CID 231262
((4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl)methanamine
CID 130625301

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine?
The IUPAC name of (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine (CID 70312685) is (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine.
What is the SMILES notation for (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine?
The canonical SMILES for (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine is CCCC1=CCC(CC[C@H](C)N)CC1.
What is the InChIKey of (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine?
The InChIKey is QHOBBXIVSFOSIO-AMGKYWFPSA-N. The full InChI is InChI=1S/C13H25N/c1-3-4-12-7-9-13(10-8-12)6-5-11(2)14/h7,11,13H,3-6,8-10,14H2,1-2H3/t11-,13?/m0/s1.
What are the key properties of (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine?
(2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(4-propylcyclohex-3-en-1-yl)butan-2-amine is sourced from PubChem (CID 70312685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).