5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine

C16H27N3 — CID 104533327

IUPAC5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C16H27N3/c1-4-9-18-14-10-16(12-17-11-14)19(3)15-7-5-13(2)6-8-15/h10-13,15,18H,4-9H2,1-3H3
InChIKeyGVKSNJHGOKDZKG-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.92
Rot. Bonds5

About 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine

5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104533327) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104533327
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(C)C2CCC(C)CC2)c1
InChIInChI=1S/C16H27N3/c1-4-9-18-14-10-16(12-17-11-14)19(3)15-7-5-13(2)6-8-15/h10-13,15,18H,4-9H2,1-3H3
InChIKeyGVKSNJHGOKDZKG-UHFFFAOYSA-N
XLogP3.92
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
CID 104533791
5-(4-methylcyclohexyl)oxy-N-propylpyridin-3-amine
CID 104536121
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
5-[2-[cyclopropyl(methyl)amino]ethoxy]-N-propylpyridin-3-amine
CID 102741340
2-[methyl-[5-(propylamino)-3-pyridinyl]amino]ethanol
CID 104532770
N,N-dimethyl-2-[methyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104532890
5-N-methyl-5-N-(oxolan-2-ylmethyl)-3-N-propylpyridine-3,5-diamine
CID 104533314
3-[[methyl-[5-(propylamino)-3-pyridinyl]amino]methyl]cyclobutan-1-ol
CID 104535126
2-[cyclopentyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104533712

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine (CID 104533327) is 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(C)C2CCC(C)CC2)c1.
What is the InChIKey of 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is GVKSNJHGOKDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-9-18-14-10-16(12-17-11-14)19(3)15-7-5-13(2)6-8-15/h10-13,15,18H,4-9H2,1-3H3.
What are the key properties of 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine?
5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).