(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine

C17H25N — CID 10922765

IUPAC(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
SMILESC=CC[C@H](NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25N/c1-2-9-17(16-12-7-4-8-13-16)18-14-15-10-5-3-6-11-15/h2-3,5-6,10-11,16-18H,1,4,7-9,12-14H2/t17-/m0/s1
InChIKeyRGTCJFMPLVESKN-KRWDZBQOSA-N
MW243.39 g/mol
LogP4.30
Rot. Bonds6

About (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine

(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine (PubChem CID 10922765) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine.

Molecular Properties

Compound Name(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
PubChem CID10922765
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine
SMILESC=CC[C@H](NCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25N/c1-2-9-17(16-12-7-4-8-13-16)18-14-15-10-5-3-6-11-15/h2-3,5-6,10-11,16-18H,1,4,7-9,12-14H2/t17-/m0/s1
InChIKeyRGTCJFMPLVESKN-KRWDZBQOSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
dicyclohexylmethanol;prop-2-enylbenzene
CID 174723759
N-[(4-bromophenyl)methyl]-1-cyclohexylpropan-1-amine
CID 63478195
2,4-dimethylpentan-3-yl (3S)-3-(benzylamino)-3-cyclohexylpropanoate
CID 53234209
N-[cyclohexyl(phenyl)methyl]prop-2-en-1-amine
CID 43110950
(1-cyclooctyl-2-phenylethyl)hydrazine
CID 105254972
benzene;N-benzylcyclohexanamine
CID 142622843
benzyl N-[(2S)-2-cyclohexylpent-4-enyl]carbamate
CID 160872437
1-cyclohexyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 57365235
2-(benzylamino)-3-cyclopentylpropanenitrile
CID 130949938
N-benzyl-1-cyclopentyl-1-thiophen-2-ylmethanamine
CID 43740592
2-(benzylamino)-1-cyclohexylethanol
CID 14342015

Frequently Asked Questions

What is the IUPAC name of (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine?
The IUPAC name of (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine (CID 10922765) is (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine.
What is the SMILES notation for (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine?
The canonical SMILES for (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine is C=CC[C@H](NCc1ccccc1)C1CCCCC1.
What is the InChIKey of (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine?
The InChIKey is RGTCJFMPLVESKN-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H25N/c1-2-9-17(16-12-7-4-8-13-16)18-14-15-10-5-3-6-11-15/h2-3,5-6,10-11,16-18H,1,4,7-9,12-14H2/t17-/m0/s1.
What are the key properties of (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine?
(1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-benzyl-1-cyclohexylbut-3-en-1-amine is sourced from PubChem (CID 10922765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).