5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine

C16H27N3 — CID 104534251

IUPAC5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(NC(CC)C2CCCCC2)c1
InChIInChI=1S/C16H27N3/c1-3-16(13-8-6-5-7-9-13)19-15-10-14(18-4-2)11-17-12-15/h10-13,16,18-19H,3-9H2,1-2H3
InChIKeyIKRBQLHZCGTXSG-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.28
Rot. Bonds6

About 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine

5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine (PubChem CID 104534251) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine
PubChem CID104534251
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine
SMILESCCNc1cncc(NC(CC)C2CCCCC2)c1
InChIInChI=1S/C16H27N3/c1-3-16(13-8-6-5-7-9-13)19-15-10-14(18-4-2)11-17-12-15/h10-13,16,18-19H,3-9H2,1-2H3
InChIKeyIKRBQLHZCGTXSG-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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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine?
The IUPAC name of 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine (CID 104534251) is 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine is CCNc1cncc(NC(CC)C2CCCCC2)c1.
What is the InChIKey of 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine?
The InChIKey is IKRBQLHZCGTXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-3-16(13-8-6-5-7-9-13)19-15-10-14(18-4-2)11-17-12-15/h10-13,16,18-19H,3-9H2,1-2H3.
What are the key properties of 5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine?
5-N-(1-cyclohexylpropyl)-3-N-ethylpyridine-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-(1-cyclohexylpropyl)-3-N-ethylpyridine-3,5-diamine is sourced from PubChem (CID 104534251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).