2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile

C13H25N3 — CID 62071768

IUPAC2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile
SMILESCCN(CC)CCNC(C#N)C1CCCC1
InChIInChI=1S/C13H25N3/c1-3-16(4-2)10-9-15-13(11-14)12-7-5-6-8-12/h12-13,15H,3-10H2,1-2H3
InChIKeyTUVJIKBOELQQBF-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.00
Rot. Bonds7

About 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile

2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile (PubChem CID 62071768) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile
PubChem CID62071768
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile
SMILESCCN(CC)CCNC(C#N)C1CCCC1
InChIInChI=1S/C13H25N3/c1-3-16(4-2)10-9-15-13(11-14)12-7-5-6-8-12/h12-13,15H,3-10H2,1-2H3
InChIKeyTUVJIKBOELQQBF-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-2-(propylamino)acetonitrile
CID 43115221
2-cyclohexyl-2-[3-(dimethylamino)propylamino]acetonitrile
CID 112512139
2-[2-(diethylamino)ethylamino]-3,3-dimethylbutanenitrile
CID 61324357
1-cyclopropyl-N-[2-(diethylamino)ethyl]ethane-1,2-diamine
CID 65385048
N-(1-cyclopropylethyl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 62573810
2-[2-(diethylamino)ethylamino]-4-methylpentanenitrile
CID 61005347
2-(3-cyclopropylimidazol-4-yl)-2-[2-(diethylamino)ethylamino]acetonitrile
CID 66140038
N-(1-cyclobutylpropan-2-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 115726252
N'-(cyclopropylmethyl)-N-(dicyclopropylmethyl)-N'-ethylethane-1,2-diamine
CID 63941075
2-N,4-N-bis[2-(diethylamino)ethyl]pentane-2,4-diamine
CID 5239027
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
methyl 2-[2-(diethylamino)ethylamino]-2-(oxan-3-yl)acetate
CID 63742191

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile?
The IUPAC name of 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile (CID 62071768) is 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile.
What is the SMILES notation for 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile?
The canonical SMILES for 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile is CCN(CC)CCNC(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile?
The InChIKey is TUVJIKBOELQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-16(4-2)10-9-15-13(11-14)12-7-5-6-8-12/h12-13,15H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile?
2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile has a molecular weight of 223.36 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[2-(diethylamino)ethylamino]acetonitrile is sourced from PubChem (CID 62071768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).