5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine

C16H27N3 — CID 104533440

IUPAC5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC2CCCCC2CC)c1
InChIInChI=1S/C16H27N3/c1-3-9-18-14-10-15(12-17-11-14)19-16-8-6-5-7-13(16)4-2/h10-13,16,18-19H,3-9H2,1-2H3
InChIKeyHVXMJFSJZFXZKY-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.28
Rot. Bonds6

About 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine

5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104533440) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104533440
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC2CCCCC2CC)c1
InChIInChI=1S/C16H27N3/c1-3-9-18-14-10-15(12-17-11-14)19-16-8-6-5-7-13(16)4-2/h10-13,16,18-19H,3-9H2,1-2H3
InChIKeyHVXMJFSJZFXZKY-UHFFFAOYSA-N
XLogP4.28
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclohexyl]methanol
CID 104535105
[2-[[[5-(propylamino)-3-pyridinyl]amino]methyl]cyclopentyl]methanol
CID 104535101
3-N-ethyl-5-N-(2-methylcycloheptyl)pyridine-3,5-diamine
CID 104535082
N-(2-ethylcyclohexyl)pyridin-4-amine
CID 61469829
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
5-N-(1,1-dioxothian-4-yl)-3-N-propylpyridine-3,5-diamine
CID 104533086
N-(2-ethylcyclohexyl)-3,5-dimethylaniline
CID 63863762
4-N-(2-ethylcyclohexyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80803006
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
CID 104533592
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
N-(2-ethylcyclopentyl)-1-methylpyrazol-4-amine
CID 115903312
5-N-(2,6-dimethylpiperidin-1-yl)-3-N-propylpyridine-3,5-diamine
CID 104535636

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine (CID 104533440) is 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NC2CCCCC2CC)c1.
What is the InChIKey of 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is HVXMJFSJZFXZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-9-18-14-10-15(12-17-11-14)19-16-8-6-5-7-13(16)4-2/h10-13,16,18-19H,3-9H2,1-2H3.
What are the key properties of 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 261.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).