2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile

C15H26N2 — CID 103917447

IUPAC2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)C1CCCC(NC2CCCC2C#N)C1
InChIInChI=1S/C15H26N2/c1-11(2)12-5-3-7-14(9-12)17-15-8-4-6-13(15)10-16/h11-15,17H,3-9H2,1-2H3
InChIKeyMNXWMIFZMRHBIA-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.48
Rot. Bonds3

About 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile

2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile (PubChem CID 103917447) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile
PubChem CID103917447
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)C1CCCC(NC2CCCC2C#N)C1
InChIInChI=1S/C15H26N2/c1-11(2)12-5-3-7-14(9-12)17-15-8-4-6-13(15)10-16/h11-15,17H,3-9H2,1-2H3
InChIKeyMNXWMIFZMRHBIA-UHFFFAOYSA-N
XLogP3.48
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile (CID 103917447) is 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile is CC(C)C1CCCC(NC2CCCC2C#N)C1.
What is the InChIKey of 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is MNXWMIFZMRHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)12-5-3-7-14(9-12)17-15-8-4-6-13(15)10-16/h11-15,17H,3-9H2,1-2H3.
What are the key properties of 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile?
2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 234.39 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 103917447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).