3-(2-methylbutylamino)-3-phenylpropanenitrile

C14H20N2 — CID 62778386

IUPAC3-(2-methylbutylamino)-3-phenylpropanenitrile
SMILESCCC(C)CNC(CC#N)c1ccccc1
InChIInChI=1S/C14H20N2/c1-3-12(2)11-16-14(9-10-15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9,11H2,1-2H3
InChIKeyCSGJCBBXUDHLBQ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.28
Rot. Bonds6

About 3-(2-methylbutylamino)-3-phenylpropanenitrile

3-(2-methylbutylamino)-3-phenylpropanenitrile (PubChem CID 62778386) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-(2-methylbutylamino)-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-(2-methylbutylamino)-3-phenylpropanenitrile
PubChem CID62778386
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-(2-methylbutylamino)-3-phenylpropanenitrile
SMILESCCC(C)CNC(CC#N)c1ccccc1
InChIInChI=1S/C14H20N2/c1-3-12(2)11-16-14(9-10-15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9,11H2,1-2H3
InChIKeyCSGJCBBXUDHLBQ-UHFFFAOYSA-N
XLogP3.28
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
3-(1-phenylpropylamino)butanenitrile
CID 62306250
2-methyl-N-(3-phenylbutan-2-yl)butan-1-amine
CID 115887797
3-[(2-methylphenyl)methylamino]-3-phenylpropanenitrile
CID 55117724
3-(pent-3-ynylamino)-3-phenylpropanenitrile
CID 116643737
2-(2-methylhept-4-ynylamino)-2-phenylethanol
CID 175342151
2-methyl-N-[(1S)-1-phenylethyl]butan-1-amine;(1S)-1-phenylethanamine
CID 167591291
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81347485
N-(2,2-diphenylethyl)-2-methylbutan-1-amine
CID 107292737
3-[2-(2-methylphenyl)ethylamino]-3-phenylpropanenitrile
CID 79749127
4-[(2-methylbutylamino)-phenylmethyl]phenol
CID 62693261
3-(2-methylsulfanylanilino)-3-phenylpropanenitrile
CID 107644742

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbutylamino)-3-phenylpropanenitrile?
The IUPAC name of 3-(2-methylbutylamino)-3-phenylpropanenitrile (CID 62778386) is 3-(2-methylbutylamino)-3-phenylpropanenitrile.
What is the SMILES notation for 3-(2-methylbutylamino)-3-phenylpropanenitrile?
The canonical SMILES for 3-(2-methylbutylamino)-3-phenylpropanenitrile is CCC(C)CNC(CC#N)c1ccccc1.
What is the InChIKey of 3-(2-methylbutylamino)-3-phenylpropanenitrile?
The InChIKey is CSGJCBBXUDHLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-12(2)11-16-14(9-10-15)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9,11H2,1-2H3.
What are the key properties of 3-(2-methylbutylamino)-3-phenylpropanenitrile?
3-(2-methylbutylamino)-3-phenylpropanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbutylamino)-3-phenylpropanenitrile is sourced from PubChem (CID 62778386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).