2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile

C15H28N2O — CID 55000005

IUPAC2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCCC(C)N(CCOC)C1CC(C)CCC1C#N
InChIInChI=1S/C15H28N2O/c1-5-13(3)17(8-9-18-4)15-10-12(2)6-7-14(15)11-16/h12-15H,5-10H2,1-4H3
InChIKeyQQZIPRSRSFBGFY-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.06
Rot. Bonds6

About 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile

2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile (PubChem CID 55000005) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
PubChem CID55000005
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
SMILESCCC(C)N(CCOC)C1CC(C)CCC1C#N
InChIInChI=1S/C15H28N2O/c1-5-13(3)17(8-9-18-4)15-10-12(2)6-7-14(15)11-16/h12-15H,5-10H2,1-4H3
InChIKeyQQZIPRSRSFBGFY-UHFFFAOYSA-N
XLogP3.06
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
CID 55000052
2-[2-methoxyethyl(pentan-3-yl)amino]-4-propylcyclohexane-1-carbonitrile
CID 63512784
2-[2-cyanoethyl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63287304
4-methyl-2-[2-methylpropyl(propan-2-yl)amino]cyclohexane-1-carbonitrile
CID 55000102
2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile
CID 55005415
2-[2-methoxyethyl(propan-2-yl)amino]-4-methylcyclohexan-1-ol
CID 82961110
2-[1-cyclopropylethyl(2-methoxyethyl)amino]cyclopentane-1-carbonitrile
CID 55004073
2-(aminomethyl)-N-butan-2-yl-5-ethyl-N-(2-methoxyethyl)cyclohexan-1-amine
CID 55001186
2-[cyclopropylmethyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63955782
5-[butan-2-yl(2-methoxyethyl)amino]-2,2-dimethylcyclopentan-1-ol
CID 79856473
2-[butan-2-yl(2-methoxyethyl)amino]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115420046
2-[[butan-2-yl(2-methoxyethyl)amino]methyl]-N,4-dimethylcyclohexan-1-amine
CID 62611562

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile (CID 55000005) is 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile is CCC(C)N(CCOC)C1CC(C)CCC1C#N.
What is the InChIKey of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
The InChIKey is QQZIPRSRSFBGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-13(3)17(8-9-18-4)15-10-12(2)6-7-14(15)11-16/h12-15H,5-10H2,1-4H3.
What are the key properties of 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile?
2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile has a molecular weight of 252.40 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(2-methoxyethyl)amino]-4-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 55000005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).