5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile

C15H29N3 — CID 107400976

IUPAC5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN(CC)CC1CCC1
InChIInChI=1S/C15H29N3/c1-4-17-15(3,13-16)10-7-11-18(5-2)12-14-8-6-9-14/h14,17H,4-12H2,1-3H3
InChIKeyJZLQPSZLIWSBEF-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds9

About 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile

5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 107400976) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
PubChem CID107400976
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CCCN(CC)CC1CCC1
InChIInChI=1S/C15H29N3/c1-4-17-15(3,13-16)10-7-11-18(5-2)12-14-8-6-9-14/h14,17H,4-12H2,1-3H3
InChIKeyJZLQPSZLIWSBEF-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile 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

5-[3-(diethylamino)propyl-ethylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 102996424
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 107400970
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
5-(cyclopentylmethylsulfanyl)-2-(ethylamino)-2-methylpentanenitrile
CID 63120126
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
2-amino-5-[cyclopropylmethyl(ethyl)amino]-2-ethylpentanenitrile
CID 106803707
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
6-[cyclobutylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)hexanenitrile
CID 62860671
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile (CID 107400976) is 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CCCN(CC)CC1CCC1.
What is the InChIKey of 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is JZLQPSZLIWSBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-17-15(3,13-16)10-7-11-18(5-2)12-14-8-6-9-14/h14,17H,4-12H2,1-3H3.
What are the key properties of 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 107400976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).