7-[benzyl(methyl)amino]heptanenitrile

C15H22N2 — CID 10680989

IUPAC7-[benzyl(methyl)amino]heptanenitrile
SMILESCN(CCCCCCC#N)Cc1ccccc1
InChIInChI=1S/C15H22N2/c1-17(13-9-4-2-3-8-12-16)14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,13-14H2,1H3
InChIKeyHVUOSJSEBLQDNZ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.59
Rot. Bonds8

About 7-[benzyl(methyl)amino]heptanenitrile

7-[benzyl(methyl)amino]heptanenitrile (PubChem CID 10680989) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 7-[benzyl(methyl)amino]heptanenitrile.

Molecular Properties

Compound Name7-[benzyl(methyl)amino]heptanenitrile
PubChem CID10680989
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name7-[benzyl(methyl)amino]heptanenitrile
SMILESCN(CCCCCCC#N)Cc1ccccc1
InChIInChI=1S/C15H22N2/c1-17(13-9-4-2-3-8-12-16)14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,13-14H2,1H3
InChIKeyHVUOSJSEBLQDNZ-UHFFFAOYSA-N
XLogP3.59
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 3014024
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Benzphetamine
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N-Methylbenzylamine
CID 7669
Benzyldimethylstearylammonium chloride
CID 31204
Benzyltrimethylammonium chloride
CID 5963
Benzyldimethyltetradecylammonium chloride
CID 8755
N,N-Dimethylbenzylamine
CID 7681
Pargyline Hydrochloride
CID 9373
Benzyltrimethylammonium hydroxide
CID 66854

Frequently Asked Questions

What is the IUPAC name of 7-[benzyl(methyl)amino]heptanenitrile?
The IUPAC name of 7-[benzyl(methyl)amino]heptanenitrile (CID 10680989) is 7-[benzyl(methyl)amino]heptanenitrile.
What is the SMILES notation for 7-[benzyl(methyl)amino]heptanenitrile?
The canonical SMILES for 7-[benzyl(methyl)amino]heptanenitrile is CN(CCCCCCC#N)Cc1ccccc1.
What is the InChIKey of 7-[benzyl(methyl)amino]heptanenitrile?
The InChIKey is HVUOSJSEBLQDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17(13-9-4-2-3-8-12-16)14-15-10-6-5-7-11-15/h5-7,10-11H,2-4,8-9,13-14H2,1H3.
What are the key properties of 7-[benzyl(methyl)amino]heptanenitrile?
7-[benzyl(methyl)amino]heptanenitrile has a molecular weight of 230.36 g/mol, XLogP of 3.59, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[benzyl(methyl)amino]heptanenitrile is sourced from PubChem (CID 10680989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).