2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile

C12H20N2 — CID 130834665

IUPAC2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)C1(NC2CCCC2C#N)CC1
InChIInChI=1S/C12H20N2/c1-9(2)12(6-7-12)14-11-5-3-4-10(11)8-13/h9-11,14H,3-7H2,1-2H3
InChIKeyYBCURMWGPBYZBY-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.46
Rot. Bonds3

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

2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile (PubChem CID 130834665) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile
PubChem CID130834665
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile
SMILESCC(C)C1(NC2CCCC2C#N)CC1
InChIInChI=1S/C12H20N2/c1-9(2)12(6-7-12)14-11-5-3-4-10(11)8-13/h9-11,14H,3-7H2,1-2H3
InChIKeyYBCURMWGPBYZBY-UHFFFAOYSA-N
XLogP2.46
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile (CID 130834665) is 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile is CC(C)C1(NC2CCCC2C#N)CC1.
What is the InChIKey of 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile?
The InChIKey is YBCURMWGPBYZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-9(2)12(6-7-12)14-11-5-3-4-10(11)8-13/h9-11,14H,3-7H2,1-2H3.
What are the key properties of 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile?
2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile has a molecular weight of 192.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylcyclopropyl)amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 130834665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).