2-(benzhydrylamino)hexanenitrile

C19H22N2 — CID 135055567

IUPAC2-(benzhydrylamino)hexanenitrile
SMILESCCCCC(C#N)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-2-3-14-18(15-20)21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,21H,2-3,14H2,1H3
InChIKeyRKFLVEVXUHONPP-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.45
Rot. Bonds7

About 2-(benzhydrylamino)hexanenitrile

2-(benzhydrylamino)hexanenitrile (PubChem CID 135055567) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(benzhydrylamino)hexanenitrile.

Molecular Properties

Compound Name2-(benzhydrylamino)hexanenitrile
PubChem CID135055567
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-(benzhydrylamino)hexanenitrile
SMILESCCCCC(C#N)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22N2/c1-2-3-14-18(15-20)21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,21H,2-3,14H2,1H3
InChIKeyRKFLVEVXUHONPP-UHFFFAOYSA-N
XLogP4.45
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
CID 135070081
2-(benzhydrylamino)-3-ethylpentanenitrile
CID 25017938
4-(N-butylanilino)-2-(propan-2-ylamino)butanenitrile
CID 64586585
N-pentan-3-yl-1-phenylpentan-1-amine
CID 43756569
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
N-benzhydrylhexan-1-amine;hydrate
CID 173442267
N-(1-phenylethyl)hexan-2-amine
CID 43755937
N-benzhydryloctan-1-amine;hydrate
CID 173441566
3-[(pentan-3-ylamino)-phenylmethyl]benzonitrile
CID 139791723
2-(3-phenylheptan-2-ylidene)propanedinitrile
CID 101138980
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1S)-1-phenylpentan-1-ol
CID 6992754

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)hexanenitrile?
The IUPAC name of 2-(benzhydrylamino)hexanenitrile (CID 135055567) is 2-(benzhydrylamino)hexanenitrile.
What is the SMILES notation for 2-(benzhydrylamino)hexanenitrile?
The canonical SMILES for 2-(benzhydrylamino)hexanenitrile is CCCCC(C#N)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)hexanenitrile?
The InChIKey is RKFLVEVXUHONPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-2-3-14-18(15-20)21-19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,18-19,21H,2-3,14H2,1H3.
What are the key properties of 2-(benzhydrylamino)hexanenitrile?
2-(benzhydrylamino)hexanenitrile has a molecular weight of 278.40 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)hexanenitrile is sourced from PubChem (CID 135055567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).