3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine

C16H28N4 — CID 104533592

IUPAC3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
SMILESCCCNc1cncc(NC2CCN(CCC)CC2)c1
InChIInChI=1S/C16H28N4/c1-3-7-18-15-11-16(13-17-12-15)19-14-5-9-20(8-4-2)10-6-14/h11-14,18-19H,3-10H2,1-2H3
InChIKeyGCGPRWSHWVCUBO-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.19
Rot. Bonds7

About 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine

3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine (PubChem CID 104533592) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
PubChem CID104533592
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine
SMILESCCCNc1cncc(NC2CCN(CCC)CC2)c1
InChIInChI=1S/C16H28N4/c1-3-7-18-15-11-16(13-17-12-15)19-14-5-9-20(8-4-2)10-6-14/h11-14,18-19H,3-10H2,1-2H3
InChIKeyGCGPRWSHWVCUBO-UHFFFAOYSA-N
XLogP3.19
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(1,1-dioxothian-4-yl)-3-N-propylpyridine-3,5-diamine
CID 104533086
5-N-[(1-ethylpyrrolidin-3-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104533114
5-fluoro-3-N-(1-propylpiperidin-4-yl)benzene-1,3-diamine
CID 54963571
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
5-N-(2,6-dimethylpiperidin-1-yl)-3-N-propylpyridine-3,5-diamine
CID 104535636
N-(4-bromo-3,5-dimethylphenyl)-1-propylpiperidin-4-amine
CID 107572074
5-N-(2-ethylcyclohexyl)-3-N-propylpyridine-3,5-diamine
CID 104533440
5-N-(1-propylpiperidin-4-yl)pyridine-2,5-diamine
CID 54963421
3-N-ethyl-5-N-(2-pyrrolidin-1-ylethyl)pyridine-3,5-diamine
CID 113423980
N-(3,5-dimethylphenyl)-1-propylazepan-4-amine
CID 65073149
N-(1-propylazepan-4-yl)quinolin-3-amine
CID 65074656
N-(3-fluoro-4-methylphenyl)-1-propylazepan-4-amine
CID 65072540

Frequently Asked Questions

What is the IUPAC name of 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine?
The IUPAC name of 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine (CID 104533592) is 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine is CCCNc1cncc(NC2CCN(CCC)CC2)c1.
What is the InChIKey of 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine?
The InChIKey is GCGPRWSHWVCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-3-7-18-15-11-16(13-17-12-15)19-14-5-9-20(8-4-2)10-6-14/h11-14,18-19H,3-10H2,1-2H3.
What are the key properties of 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine?
3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-propyl-5-N-(1-propylpiperidin-4-yl)pyridine-3,5-diamine is sourced from PubChem (CID 104533592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).