2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline

C19H29N — CID 142237009

IUPAC2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline
SMILESC=C(CC1CCCCC1)Nc1ccccc1CCCC
InChIInChI=1S/C19H29N/c1-3-4-12-18-13-8-9-14-19(18)20-16(2)15-17-10-6-5-7-11-17/h8-9,13-14,17,20H,2-7,10-12,15H2,1H3
InChIKeyKWAYTKBJJCSQQU-UHFFFAOYSA-N
MW271.45 g/mol
LogP5.93
Rot. Bonds7

About 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline

2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline (PubChem CID 142237009) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline.

Molecular Properties

Compound Name2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline
PubChem CID142237009
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline
SMILESC=C(CC1CCCCC1)Nc1ccccc1CCCC
InChIInChI=1S/C19H29N/c1-3-4-12-18-13-8-9-14-19(18)20-16(2)15-17-10-6-5-7-11-17/h8-9,13-14,17,20H,2-7,10-12,15H2,1H3
InChIKeyKWAYTKBJJCSQQU-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-N-(2-cyclohexylethyl)aniline
CID 18361040
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
zinc bis(N-(2-butylphenyl)carbamodithioate)
CID 87339212
(2-butylphenyl)carbamodithioic acid;tungsten
CID 174689067
N-(2-butylphenyl)-2-chloroacetamide
CID 150293597
2-butyl-N-methylaniline;hydrochloride
CID 67695617
2-butyl-N-ethynylaniline
CID 143963108
2-cyclopentyl-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 51146982
(2-heptadecylphenyl)carbamic acid
CID 71374202
(2-pentylphenyl)carbamothioic S-acid
CID 87699926
N-(3-cyclohexylprop-1-en-2-yl)-4-fluoroaniline
CID 145078207
N-[(2-heptylphenyl)methyl]-1-[3-[[(2-heptylphenyl)methylamino]methyl]cyclohexyl]methanamine
CID 71560688

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline?
The IUPAC name of 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline (CID 142237009) is 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline.
What is the SMILES notation for 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline?
The canonical SMILES for 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline is C=C(CC1CCCCC1)Nc1ccccc1CCCC.
What is the InChIKey of 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline?
The InChIKey is KWAYTKBJJCSQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-3-4-12-18-13-8-9-14-19(18)20-16(2)15-17-10-6-5-7-11-17/h8-9,13-14,17,20H,2-7,10-12,15H2,1H3.
What are the key properties of 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline?
2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline has a molecular weight of 271.45 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(3-cyclohexylprop-1-en-2-yl)aniline is sourced from PubChem (CID 142237009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).