3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile

C15H22N2 — CID 61225285

IUPAC3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
SMILESCCN(CCCc1ccccc1)CC(C)C#N
InChIInChI=1S/C15H22N2/c1-3-17(13-14(2)12-16)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,3,7,10-11,13H2,1-2H3
InChIKeyLLTZUKXTHBAFQF-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.10
Rot. Bonds7

About 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile

3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile (PubChem CID 61225285) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
PubChem CID61225285
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
SMILESCCN(CCCc1ccccc1)CC(C)C#N
InChIInChI=1S/C15H22N2/c1-3-17(13-14(2)12-16)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,3,7,10-11,13H2,1-2H3
InChIKeyLLTZUKXTHBAFQF-UHFFFAOYSA-N
XLogP3.10
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
CID 39161374
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanoic acid
CID 62853866
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
N'-ethyl-N,N-dimethyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 2059221
N'-ethyl-N'-(3-phenylpropyl)propane-1,3-diamine
CID 43137195
N-(cyclopropylmethyl)-N-ethyl-3-phenylpropan-1-amine
CID 102476941
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile (CID 61225285) is 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile is CCN(CCCc1ccccc1)CC(C)C#N.
What is the InChIKey of 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile?
The InChIKey is LLTZUKXTHBAFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-3-17(13-14(2)12-16)11-7-10-15-8-5-4-6-9-15/h4-6,8-9,14H,3,7,10-11,13H2,1-2H3.
What are the key properties of 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile?
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile has a molecular weight of 230.36 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 61225285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).