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

C19H34N2 — CID 43614074

IUPAC4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(C1CCCCCC1)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C19H34N2/c1-19(2,3)16-12-11-15(14-20)18(13-16)21(4)17-9-7-5-6-8-10-17/h15-18H,5-13H2,1-4H3
InChIKeyMYKXMFWMSPYCDT-UHFFFAOYSA-N
MW290.50 g/mol
LogP5.00
Rot. Bonds2

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

4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile (PubChem CID 43614074) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile
PubChem CID43614074
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile
SMILESCN(C1CCCCCC1)C1CC(C(C)(C)C)CCC1C#N
InChIInChI=1S/C19H34N2/c1-19(2,3)16-12-11-15(14-20)18(13-16)21(4)17-9-7-5-6-8-10-17/h15-18H,5-13H2,1-4H3
InChIKeyMYKXMFWMSPYCDT-UHFFFAOYSA-N
XLogP5.00
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2-[methyl-(1-methylpiperidin-3-yl)amino]cyclohexane-1-carbonitrile
CID 62546773
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CID 63513459
4-tert-butyl-2-[cyclopentylmethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 63632465
2-[cyclopentyl(methyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 43291939
4-tert-butyl-2-[3-(dimethylamino)propyl-methylamino]cyclohexane-1-carbonitrile
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4-(2-methylbutan-2-yl)-2-[methyl(oxan-4-yl)amino]cyclohexane-1-carbonitrile
CID 43611137
2-[butan-2-yl(methyl)amino]-4-tert-butylcyclohexane-1-carbonitrile
CID 43291990
4-tert-butyl-2-[2-ethoxyethyl(methyl)amino]cyclohexane-1-carbonitrile
CID 81056596
4-tert-butyl-2-[cyclopropylmethyl(ethyl)amino]cyclohexane-1-carbonitrile
CID 63956800
4-tert-butyl-2-[methyl(1-methylsulfanylbutan-2-yl)amino]cyclohexane-1-carbonitrile
CID 115985822
4-tert-butyl-2-iodocyclohexane-1-carbonitrile
CID 14510688
4-tert-butyl-2-[2-hydroxyethyl(propyl)amino]cyclohexane-1-carbonitrile
CID 61425333

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile?
The IUPAC name of 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile (CID 43614074) is 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile?
The canonical SMILES for 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile is CN(C1CCCCCC1)C1CC(C(C)(C)C)CCC1C#N.
What is the InChIKey of 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile?
The InChIKey is MYKXMFWMSPYCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c1-19(2,3)16-12-11-15(14-20)18(13-16)21(4)17-9-7-5-6-8-10-17/h15-18H,5-13H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile?
4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile has a molecular weight of 290.50 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[cycloheptyl(methyl)amino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 43614074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).