2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile

C12H23N3 — CID 62741710

IUPAC2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile
SMILESCC(CCN(C)C)NC1CCCC1C#N
InChIInChI=1S/C12H23N3/c1-10(7-8-15(2)3)14-12-6-4-5-11(12)9-13/h10-12,14H,4-8H2,1-3H3
InChIKeyLQVCFNLAJVQJKC-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.61
Rot. Bonds5

About 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile

2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile (PubChem CID 62741710) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile
PubChem CID62741710
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile
SMILESCC(CCN(C)C)NC1CCCC1C#N
InChIInChI=1S/C12H23N3/c1-10(7-8-15(2)3)14-12-6-4-5-11(12)9-13/h10-12,14H,4-8H2,1-3H3
InChIKeyLQVCFNLAJVQJKC-UHFFFAOYSA-N
XLogP1.61
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile (CID 62741710) is 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile is CC(CCN(C)C)NC1CCCC1C#N.
What is the InChIKey of 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile?
The InChIKey is LQVCFNLAJVQJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(7-8-15(2)3)14-12-6-4-5-11(12)9-13/h10-12,14H,4-8H2,1-3H3.
What are the key properties of 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile?
2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile has a molecular weight of 209.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62741710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).