1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

C16H27N3 — CID 104744569

IUPAC1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCNC(CN(C)CCc1ccccn1)C1CCCC1
InChIInChI=1S/C16H27N3/c1-17-16(14-7-3-4-8-14)13-19(2)12-10-15-9-5-6-11-18-15/h5-6,9,11,14,16-17H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyUVQHJQFQHLHJQD-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.33
Rot. Bonds7

About 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (PubChem CID 104744569) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
PubChem CID104744569
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCNC(CN(C)CCc1ccccn1)C1CCCC1
InChIInChI=1S/C16H27N3/c1-17-16(14-7-3-4-8-14)13-19(2)12-10-15-9-5-6-11-18-15/h5-6,9,11,14,16-17H,3-4,7-8,10,12-13H2,1-2H3
InChIKeyUVQHJQFQHLHJQD-UHFFFAOYSA-N
XLogP2.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-N-methyl-2-pyridin-2-ylethanamine
CID 60819908
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
1-cyclopropyl-N-methyl-2-pyridin-2-ylethanamine
CID 63352689
1-cyclopentyl-N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 105081102
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118
1-(4-ethylcyclohexyl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105155309
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 62614406
(1-cyclobutyl-3-pyridin-2-ylpropyl)hydrazine
CID 105340146
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (CID 104744569) is 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is CNC(CN(C)CCc1ccccn1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The InChIKey is UVQHJQFQHLHJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-17-16(14-7-3-4-8-14)13-19(2)12-10-15-9-5-6-11-18-15/h5-6,9,11,14,16-17H,3-4,7-8,10,12-13H2,1-2H3.
What are the key properties of 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 104744569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).