4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile

C19H34N2 — CID 63513459

IUPAC4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC1CCCCC1)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C19H34N2/c1-19(2,3)17-11-10-16(13-20)18(12-17)21(4)14-15-8-6-5-7-9-15/h15-18H,5-12,14H2,1-4H3
InChIKeySPYDNMPITATKCH-UHFFFAOYSA-N
MW290.50 g/mol
LogP4.85
Rot. Bonds3

About 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile

4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile (PubChem CID 63513459) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile
PubChem CID63513459
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(CC1CCCCC1)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C19H34N2/c1-19(2,3)17-11-10-16(13-20)18(12-17)21(4)14-15-8-6-5-7-9-15/h15-18H,5-12,14H2,1-4H3
InChIKeySPYDNMPITATKCH-UHFFFAOYSA-N
XLogP4.85
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Methylbutan-2-yl)-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
CID 60890422
4-Tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
CID 60890612
4-Tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
CID 61604520
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 61605849
4-Tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
CID 61605915
4-Tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carbonitrile
CID 61606132
4-Tert-butyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile
CID 65537191
4-(2-Methylbutan-2-yl)-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexane-1-carbonitrile
CID 65537967
4-Tert-butyl-2-[2,2-difluoroethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 113502689
2-[2,2-Difluoroethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 116315013
N-ethyl-5-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-2-propan-2-ylcyclohexan-1-amine
CID 18539419
1-Butyl-4-(4-butylpiperidin-1-yl)cyclohexane-1-carbonitrile
CID 18596767

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile (CID 63513459) is 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile is CN(CC1CCCCC1)C1CC(C(C)(C)C)CCC1C#N.
What is the InChIKey of 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is SPYDNMPITATKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-19(2,3)17-11-10-16(13-20)18(12-17)21(4)14-15-8-6-5-7-9-15/h15-18H,5-12,14H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile?
4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 290.50 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[cyclohexylmethyl(methyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 63513459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).