2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile

C15H29N3O — CID 64728090

IUPAC2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)N(C)CC1CCCO1
InChIInChI=1S/C15H29N3O/c1-12(2)17-15(4,11-16)9-13(3)18(5)10-14-7-6-8-19-14/h12-14,17H,6-10H2,1-5H3
InChIKeyOGGGWGVKJJGOPL-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.16
Rot. Bonds7

About 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile

2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile (PubChem CID 64728090) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile.

Molecular Properties

Compound Name2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile
PubChem CID64728090
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile
SMILESCC(C)NC(C)(C#N)CC(C)N(C)CC1CCCO1
InChIInChI=1S/C15H29N3O/c1-12(2)17-15(4,11-16)9-13(3)18(5)10-14-7-6-8-19-14/h12-14,17H,6-10H2,1-5H3
InChIKeyOGGGWGVKJJGOPL-UHFFFAOYSA-N
XLogP2.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile 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

methyl 2-methyl-2-(methylamino)-4-[methyl(oxolan-2-ylmethyl)amino]pentanoate
CID 64709105
1-N-tert-butyl-3-N-methyl-3-N-(oxolan-2-ylmethyl)butane-1,3-diamine
CID 62436071
2-methyl-4-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)butanenitrile
CID 106495503
2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanamide
CID 64711413
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
methyl 2-methyl-2-(methylamino)-4-[methyl(oxan-2-ylmethyl)amino]pentanoate
CID 64709856
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
2-N-methyl-2-N-(oxolan-2-ylmethyl)-1-N-pentan-3-ylpropane-1,2-diamine
CID 55087661
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64726084
2-N,4-N-dimethyl-4-N-(oxan-2-ylmethyl)pentane-2,4-diamine
CID 64708863

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile?
The IUPAC name of 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile (CID 64728090) is 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile.
What is the SMILES notation for 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile?
The canonical SMILES for 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile is CC(C)NC(C)(C#N)CC(C)N(C)CC1CCCO1.
What is the InChIKey of 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile?
The InChIKey is OGGGWGVKJJGOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)17-15(4,11-16)9-13(3)18(5)10-14-7-6-8-19-14/h12-14,17H,6-10H2,1-5H3.
What are the key properties of 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile?
2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile has a molecular weight of 267.42 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(oxolan-2-ylmethyl)amino]-2-(propan-2-ylamino)pentanenitrile is sourced from PubChem (CID 64728090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).