N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

C16H27N3 — CID 62573237

IUPACN-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCC1)CCc1ccccn1
InChIInChI=1S/C16H27N3/c1-19(12-9-16-8-4-5-10-18-16)13-11-17-14-15-6-2-3-7-15/h4-5,8,10,15,17H,2-3,6-7,9,11-14H2,1H3
InChIKeyJHPLYBVMJGAYNN-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.34
Rot. Bonds8

About N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine

N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (PubChem CID 62573237) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
PubChem CID62573237
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCCC1)CCc1ccccn1
InChIInChI=1S/C16H27N3/c1-19(12-9-16-8-4-5-10-18-16)13-11-17-14-15-6-2-3-7-15/h4-5,8,10,15,17H,2-3,6-7,9,11-14H2,1H3
InChIKeyJHPLYBVMJGAYNN-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62569303
1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 104744569
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62574703
N'-methyl-N'-(2-pyridin-2-ylethyl)-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62573416
N-[[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62419597
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
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-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopentan-1-ol
CID 65212670
N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
1-cyclopentyl-3-(2-pyridin-2-ylethylamino)propan-2-ol
CID 103157099

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine (CID 62573237) is N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is CN(CCNCC1CCCC1)CCc1ccccn1.
What is the InChIKey of N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The InChIKey is JHPLYBVMJGAYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(12-9-16-8-4-5-10-18-16)13-11-17-14-15-6-2-3-7-15/h4-5,8,10,15,17H,2-3,6-7,9,11-14H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62573237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).