1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile

C14H26N4 — CID 114087352

IUPAC1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CN(C)CCN1CCC1CCCC1(N)C#N
InChIInChI=1S/C14H26N4/c1-12-10-17(2)8-9-18(12)7-5-13-4-3-6-14(13,16)11-15/h12-13H,3-10,16H2,1-2H3
InChIKeyGSLIHDRGGYIOGZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.03
Rot. Bonds3

About 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile (PubChem CID 114087352) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile
PubChem CID114087352
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile
SMILESCC1CN(C)CCN1CCC1CCCC1(N)C#N
InChIInChI=1S/C14H26N4/c1-12-10-17(2)8-9-18(12)7-5-13-4-3-6-14(13,16)11-15/h12-13H,3-10,16H2,1-2H3
InChIKeyGSLIHDRGGYIOGZ-UHFFFAOYSA-N
XLogP1.03
TPSA56.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile (CID 114087352) is 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile is CC1CN(C)CCN1CCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile?
The InChIKey is GSLIHDRGGYIOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12-10-17(2)8-9-18(12)7-5-13-4-3-6-14(13,16)11-15/h12-13H,3-10,16H2,1-2H3.
What are the key properties of 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile has a molecular weight of 250.39 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(2,4-dimethylpiperazin-1-yl)ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 114087352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).