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

C14H26N2 — CID 67455046

IUPAC1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)CN(CC(C)C)C1(C#N)CCCC1
InChIInChI=1S/C14H26N2/c1-12(2)9-16(10-13(3)4)14(11-15)7-5-6-8-14/h12-13H,5-10H2,1-4H3
InChIKeyUUYSJRCEWRVBSE-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.44
Rot. Bonds5

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

1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile (PubChem CID 67455046) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
PubChem CID67455046
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)CN(CC(C)C)C1(C#N)CCCC1
InChIInChI=1S/C14H26N2/c1-12(2)9-16(10-13(3)4)14(11-15)7-5-6-8-14/h12-13H,5-10H2,1-4H3
InChIKeyUUYSJRCEWRVBSE-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile (CID 67455046) is 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile is CC(C)CN(CC(C)C)C1(C#N)CCCC1.
What is the InChIKey of 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is UUYSJRCEWRVBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-12(2)9-16(10-13(3)4)14(11-15)7-5-6-8-14/h12-13H,5-10H2,1-4H3.
What are the key properties of 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile?
1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 222.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-methylpropyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 67455046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).