2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile

C15H28N2 — CID 65254531

IUPAC2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile
SMILESCC1CCCCC1CNCCCC(C)(C)C#N
InChIInChI=1S/C15H28N2/c1-13-7-4-5-8-14(13)11-17-10-6-9-15(2,3)12-16/h13-14,17H,4-11H2,1-3H3
InChIKeyUGUQBLSHVYPVAR-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.73
Rot. Bonds6

About 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile

2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile (PubChem CID 65254531) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile
PubChem CID65254531
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile
SMILESCC1CCCCC1CNCCCC(C)(C)C#N
InChIInChI=1S/C15H28N2/c1-13-7-4-5-8-14(13)11-17-10-6-9-15(2,3)12-16/h13-14,17H,4-11H2,1-3H3
InChIKeyUGUQBLSHVYPVAR-UHFFFAOYSA-N
XLogP3.73
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-hydroxycyclohexyl)methylamino]-2,2-dimethylpentanenitrile
CID 114147881
3-[(2-methylcyclopentyl)methylamino]propanenitrile
CID 107418190
5-(cycloheptylamino)-2,2-dimethylpentanenitrile
CID 65254456
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297
2,2-dimethyl-5-(oxolan-3-ylmethylamino)pentanenitrile
CID 65253924
5-(ethylamino)-2,2-dimethylpentanenitrile
CID 65256305
6-(2-cyclopropylethylamino)-2,2-dimethylhexanenitrile
CID 106709405
3-methoxy-N-[(2-methylcyclopentyl)methyl]propan-1-amine
CID 107417904
6-[(1,1-dioxothiolan-2-yl)methylamino]-2,2-dimethylhexanenitrile
CID 106709462
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
CID 106709324
N'-hydroxy-4-[(2-methylcyclohexyl)methylamino]butanimidamide
CID 77032285
N-[(2-methylcyclohexyl)methyl]-3-phenylpropan-1-amine
CID 63454499

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile?
The IUPAC name of 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile (CID 65254531) is 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile.
What is the SMILES notation for 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile?
The canonical SMILES for 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile is CC1CCCCC1CNCCCC(C)(C)C#N.
What is the InChIKey of 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile?
The InChIKey is UGUQBLSHVYPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-13-7-4-5-8-14(13)11-17-10-6-9-15(2,3)12-16/h13-14,17H,4-11H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile?
2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile has a molecular weight of 236.40 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(2-methylcyclohexyl)methylamino]pentanenitrile is sourced from PubChem (CID 65254531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).