2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile

C16H28N2 — CID 62861497

IUPAC2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)CC2CCC2)C1
InChIInChI=1S/C16H28N2/c1-3-5-13-8-9-15(11-17)16(10-13)18(2)12-14-6-4-7-14/h13-16H,3-10,12H2,1-2H3
InChIKeyCTZZBFYMNLTXKL-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.83
Rot. Bonds5

About 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile

2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile (PubChem CID 62861497) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
PubChem CID62861497
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N(C)CC2CCC2)C1
InChIInChI=1S/C16H28N2/c1-3-5-13-8-9-15(11-17)16(10-13)18(2)12-14-6-4-7-14/h13-16H,3-10,12H2,1-2H3
InChIKeyCTZZBFYMNLTXKL-UHFFFAOYSA-N
XLogP3.83
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile (CID 62861497) is 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N(C)CC2CCC2)C1.
What is the InChIKey of 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is CTZZBFYMNLTXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-5-13-8-9-15(11-17)16(10-13)18(2)12-14-6-4-7-14/h13-16H,3-10,12H2,1-2H3.
What are the key properties of 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile?
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 248.41 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 62861497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).