N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine

C16H27N3 — CID 62569303

IUPACN-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCN(CCCNC1CCCC1)CCc1ccccn1
InChIInChI=1S/C16H27N3/c1-19(14-10-16-9-4-5-11-17-16)13-6-12-18-15-7-2-3-8-15/h4-5,9,11,15,18H,2-3,6-8,10,12-14H2,1H3
InChIKeyRSQOMRNAWUFMDZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.48
Rot. Bonds8

About N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine

N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (PubChem CID 62569303) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
PubChem CID62569303
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
SMILESCN(CCCNC1CCCC1)CCc1ccccn1
InChIInChI=1S/C16H27N3/c1-19(14-10-16-9-4-5-11-17-16)13-6-12-18-15-7-2-3-8-15/h4-5,9,11,15,18H,2-3,6-8,10,12-14H2,1H3
InChIKeyRSQOMRNAWUFMDZ-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
1-cyclopentyl-N,N'-dimethyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 104744569
N-[[5-[[methyl(2-pyridin-2-ylethyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62419597
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139
6-chloro-N-methyl-N-(2-pyridin-2-ylethyl)hexan-1-amine
CID 62229678
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
CID 62614406
N-tert-butyl-N'-methyl-N'-(2-pyridin-2-ylethyl)pentane-1,5-diamine
CID 62419001
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
N-[5-(2-pyridin-2-ylethoxy)pentyl]cyclopropanamine
CID 62455569
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The IUPAC name of N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine (CID 62569303) is N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is CN(CCCNC1CCCC1)CCc1ccccn1.
What is the InChIKey of N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
The InChIKey is RSQOMRNAWUFMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(14-10-16-9-4-5-11-17-16)13-6-12-18-15-7-2-3-8-15/h4-5,9,11,15,18H,2-3,6-8,10,12-14H2,1H3.
What are the key properties of N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine?
N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 62569303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).