5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine

C16H27N3 — CID 104533791

IUPAC5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H27N3/c1-4-8-18-14-10-16(12-17-11-14)19(15-5-6-15)9-7-13(2)3/h10-13,15,18H,4-9H2,1-3H3
InChIKeyAUTWECZGXQBRKA-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.92
Rot. Bonds8

About 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine

5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104533791) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
PubChem CID104533791
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(N(CCC(C)C)C2CC2)c1
InChIInChI=1S/C16H27N3/c1-4-8-18-14-10-16(12-17-11-14)19(15-5-6-15)9-7-13(2)3/h10-13,15,18H,4-9H2,1-3H3
InChIKeyAUTWECZGXQBRKA-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-cyclopentyl-3-N-methyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535326
5-N-methyl-5-N-(4-methylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533327
2-[cyclopentyl-[5-(propylamino)-3-pyridinyl]amino]acetamide
CID 104533712
5-N-cyclopentyl-5-N-(3-methylbutyl)pyridine-3,5-diamine
CID 104535325
5-N-methyl-5-N-(4-methylpentan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104533765
3-N,5-N,5-N-tripropylpyridine-3,5-diamine
CID 104532474
4-N-cyclopropyl-2-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80940294
2-[cyclopropyl-[5-(methylamino)-3-pyridinyl]amino]ethanol
CID 104533735
5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104534762
5-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-N-propylpyridine-3,5-diamine
CID 104534597
4-N-cyclopropyl-5-ethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80787176
5-bromo-N-cyclopropyl-N-propylpyridin-3-amine
CID 104531553

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine (CID 104533791) is 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(N(CCC(C)C)C2CC2)c1.
What is the InChIKey of 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is AUTWECZGXQBRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-4-8-18-14-10-16(12-17-11-14)19(15-5-6-15)9-7-13(2)3/h10-13,15,18H,4-9H2,1-3H3.
What are the key properties of 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine?
5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 261.41 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-5-N-(3-methylbutyl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104533791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).