3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile

C14H26N2 — CID 66607139

IUPAC3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)CN(CC(C)C)C1CCC(C#N)C1
InChIInChI=1S/C14H26N2/c1-11(2)9-16(10-12(3)4)14-6-5-13(7-14)8-15/h11-14H,5-7,9-10H2,1-4H3
InChIKeyOFMRMUVWBCFGNN-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.29
Rot. Bonds5

About 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile

3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile (PubChem CID 66607139) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
PubChem CID66607139
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)CN(CC(C)C)C1CCC(C#N)C1
InChIInChI=1S/C14H26N2/c1-11(2)9-16(10-12(3)4)14-6-5-13(7-14)8-15/h11-14H,5-7,9-10H2,1-4H3
InChIKeyOFMRMUVWBCFGNN-UHFFFAOYSA-N
XLogP3.29
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile (CID 66607139) is 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile is CC(C)CN(CC(C)C)C1CCC(C#N)C1.
What is the InChIKey of 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is OFMRMUVWBCFGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-11(2)9-16(10-12(3)4)14-6-5-13(7-14)8-15/h11-14H,5-7,9-10H2,1-4H3.
What are the key properties of 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 222.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 66607139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).