5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine

C16H28N4 — CID 104534597

IUPAC5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCCN(C)C2CCCC2)c1
InChIInChI=1S/C16H28N4/c1-3-8-18-14-11-15(13-17-12-14)19-9-10-20(2)16-6-4-5-7-16/h11-13,16,18-19H,3-10H2,1-2H3
InChIKeyACOXKHYPRGLQIM-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.19
Rot. Bonds8

About 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine

5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine (PubChem CID 104534597) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
PubChem CID104534597
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NCCN(C)C2CCCC2)c1
InChIInChI=1S/C16H28N4/c1-3-8-18-14-11-15(13-17-12-14)19-9-10-20(2)16-6-4-5-7-16/h11-13,16,18-19H,3-10H2,1-2H3
InChIKeyACOXKHYPRGLQIM-UHFFFAOYSA-N
XLogP3.19
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3,5-diamine
CID 104534598
N-(5-bromo-3-pyridinyl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 113423561
5-[2-[cyclopropyl(methyl)amino]ethoxy]-N-propylpyridin-3-amine
CID 102741340
4-N-[2-[cyclopentyl(methyl)amino]ethyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814858
5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533327
N'-cyclopentyl-N'-methyl-N-(2-methyl-4-pyridinyl)ethane-1,2-diamine
CID 113482625
5-N-(2,6-dimethylpiperidin-1-yl)-3-N-propylpyridine-3,5-diamine
CID 104535636
5-cyclohexyloxy-N-propylpyridin-3-amine
CID 104536075
N'-cyclopentyl-N-(5-fluoropyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 112703177
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 104535101
5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533440
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 104535105

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine (CID 104534597) is 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NCCN(C)C2CCCC2)c1.
What is the InChIKey of 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine?
The InChIKey is ACOXKHYPRGLQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-8-18-14-11-15(13-17-12-14)19-9-10-20(2)16-6-4-5-7-16/h11-13,16,18-19H,3-10H2,1-2H3.
What are the key properties of 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine?
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104534597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).