2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile

C13H25N3 — CID 103188900

IUPAC2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
SMILESCCN(C(C)CN(C)C)C1CCCC1C#N
InChIInChI=1S/C13H25N3/c1-5-16(11(2)10-15(3)4)13-8-6-7-12(13)9-14/h11-13H,5-8,10H2,1-4H3
InChIKeyBTVNFJISUIRWCQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP1.95
Rot. Bonds5

About 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile

2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile (PubChem CID 103188900) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
PubChem CID103188900
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile
SMILESCCN(C(C)CN(C)C)C1CCCC1C#N
InChIInChI=1S/C13H25N3/c1-5-16(11(2)10-15(3)4)13-8-6-7-12(13)9-14/h11-13H,5-8,10H2,1-4H3
InChIKeyBTVNFJISUIRWCQ-UHFFFAOYSA-N
XLogP1.95
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 43295782
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethylcyclohexane-1,2-diamine
CID 103188400
2-[methyl(3-methylbutyl)amino]cyclopentane-1-carbonitrile
CID 61430050
2-[1-(dimethylamino)propan-2-yl-ethylamino]cycloheptan-1-ol
CID 103190447
2-N-[2-(aminomethyl)cyclohexyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103187895
2-[cyclopropyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 43291906
2-[butan-2-yl(butyl)amino]cyclohexane-1-carbonitrile
CID 55005415
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclohexane-1-carboxylic acid
CID 103191967
2-N-[1-(dimethylamino)propan-2-yl]-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 103188428
2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
CID 54999379
2-[butan-2-yl(2-methoxyethyl)amino]cyclohexane-1-carbonitrile
CID 55000052
2-[methyl(2,2,2-trifluoroethyl)amino]cyclopentane-1-carbonitrile
CID 60892330

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile (CID 103188900) is 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile is CCN(C(C)CN(C)C)C1CCCC1C#N.
What is the InChIKey of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile?
The InChIKey is BTVNFJISUIRWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-16(11(2)10-15(3)4)13-8-6-7-12(13)9-14/h11-13H,5-8,10H2,1-4H3.
What are the key properties of 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile?
2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile has a molecular weight of 223.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)propan-2-yl-ethylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 103188900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).