3-[1-(4-butylphenyl)ethylamino]pentanenitrile

C17H26N2 — CID 62648001

IUPAC3-[1-(4-butylphenyl)ethylamino]pentanenitrile
SMILESCCCCc1ccc(C(C)NC(CC)CC#N)cc1
InChIInChI=1S/C17H26N2/c1-4-6-7-15-8-10-16(11-9-15)14(3)19-17(5-2)12-13-18/h8-11,14,17,19H,4-7,12H2,1-3H3
InChIKeyCGQCIPPUHHEFPF-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.37
Rot. Bonds8

About 3-[1-(4-butylphenyl)ethylamino]pentanenitrile

3-[1-(4-butylphenyl)ethylamino]pentanenitrile (PubChem CID 62648001) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 3-[1-(4-butylphenyl)ethylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(4-butylphenyl)ethylamino]pentanenitrile
PubChem CID62648001
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name3-[1-(4-butylphenyl)ethylamino]pentanenitrile
SMILESCCCCc1ccc(C(C)NC(CC)CC#N)cc1
InChIInChI=1S/C17H26N2/c1-4-6-7-15-8-10-16(11-9-15)14(3)19-17(5-2)12-13-18/h8-11,14,17,19H,4-7,12H2,1-3H3
InChIKeyCGQCIPPUHHEFPF-UHFFFAOYSA-N
XLogP4.37
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]pentanenitrile
CID 81360191
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]pentanenitrile
CID 62646051
3-[1-(4-ethylphenyl)propylamino]pentanenitrile
CID 62648007
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
2-[1-(4-butylphenyl)ethylamino]-3-methylbutan-1-ol
CID 79254848
3-[1-(3-hydroxyphenyl)ethylamino]pentanenitrile
CID 62647469
N-[1-(4-butylphenyl)ethyl]-2-methylbutan-1-amine
CID 63477867
3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
CID 81405126
3-[1-(4-butylphenyl)ethylamino]-4-methylpentan-1-ol
CID 106348700
N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
CID 55193146
1-(4-butylphenyl)-N-(1-pyridin-3-ylethyl)ethanamine
CID 43203644

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-butylphenyl)ethylamino]pentanenitrile?
The IUPAC name of 3-[1-(4-butylphenyl)ethylamino]pentanenitrile (CID 62648001) is 3-[1-(4-butylphenyl)ethylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(4-butylphenyl)ethylamino]pentanenitrile?
The canonical SMILES for 3-[1-(4-butylphenyl)ethylamino]pentanenitrile is CCCCc1ccc(C(C)NC(CC)CC#N)cc1.
What is the InChIKey of 3-[1-(4-butylphenyl)ethylamino]pentanenitrile?
The InChIKey is CGQCIPPUHHEFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-4-6-7-15-8-10-16(11-9-15)14(3)19-17(5-2)12-13-18/h8-11,14,17,19H,4-7,12H2,1-3H3.
What are the key properties of 3-[1-(4-butylphenyl)ethylamino]pentanenitrile?
3-[1-(4-butylphenyl)ethylamino]pentanenitrile has a molecular weight of 258.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-butylphenyl)ethylamino]pentanenitrile is sourced from PubChem (CID 62648001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).