2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile

C15H26N2O — CID 81321315

IUPAC2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
SMILESCC1CC(C)(C)CCC1(C#N)NCC1CCCO1
InChIInChI=1S/C15H26N2O/c1-12-9-14(2,3)6-7-15(12,11-16)17-10-13-5-4-8-18-13/h12-13,17H,4-10H2,1-3H3
InChIKeyBSURBHIMJADTNO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.86
Rot. Bonds3

About 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile

2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile (PubChem CID 81321315) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
PubChem CID81321315
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
SMILESCC1CC(C)(C)CCC1(C#N)NCC1CCCO1
InChIInChI=1S/C15H26N2O/c1-12-9-14(2,3)6-7-15(12,11-16)17-10-13-5-4-8-18-13/h12-13,17H,4-10H2,1-3H3
InChIKeyBSURBHIMJADTNO-UHFFFAOYSA-N
XLogP2.86
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile 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-methyl-1-(oxolan-2-ylmethylamino)-2-propan-2-ylcyclohexane-1-carbonitrile
CID 54887564
3,3,5,5-tetramethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile
CID 112682397
2-methylsulfonyl-1-(oxolan-2-ylmethylamino)cyclopentane-1-carbonitrile
CID 65045063
3-methoxy-1-(oxolan-2-ylmethylamino)cyclobutane-1-carbonitrile
CID 106822418
1-(aminomethyl)-4,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65377148
[(2S)-oxolan-2-yl]methylcyanamide
CID 87337063
1-(chloromethyl)-3-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 65030300
2,4-dimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64756379
3-methyl-N-(oxolan-2-ylmethyl)pyrrolidin-3-amine
CID 107423630
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
CID 106813007
1-cyano-N-(oxolan-2-ylmethyl)cyclopropane-1-carboxamide
CID 80598955
1-(aminomethyl)-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 65376736

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
The IUPAC name of 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile (CID 81321315) is 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile.
What is the SMILES notation for 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
The canonical SMILES for 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile is CC1CC(C)(C)CCC1(C#N)NCC1CCCO1.
What is the InChIKey of 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
The InChIKey is BSURBHIMJADTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-12-9-14(2,3)6-7-15(12,11-16)17-10-13-5-4-8-18-13/h12-13,17H,4-10H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile?
2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(oxolan-2-ylmethylamino)cyclohexane-1-carbonitrile is sourced from PubChem (CID 81321315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).