5-N-(1-phenylpropyl)pyridine-3,5-diamine

C14H17N3 — CID 104534194

IUPAC5-N-(1-phenylpropyl)pyridine-3,5-diamine
SMILESCCC(Nc1cncc(N)c1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-14(11-6-4-3-5-7-11)17-13-8-12(15)9-16-10-13/h3-10,14,17H,2,15H2,1H3
InChIKeySHSKPVXKNKYQQO-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.23
Rot. Bonds4

About 5-N-(1-phenylpropyl)pyridine-3,5-diamine

5-N-(1-phenylpropyl)pyridine-3,5-diamine (PubChem CID 104534194) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-N-(1-phenylpropyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-phenylpropyl)pyridine-3,5-diamine
PubChem CID104534194
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-N-(1-phenylpropyl)pyridine-3,5-diamine
SMILESCCC(Nc1cncc(N)c1)c1ccccc1
InChIInChI=1S/C14H17N3/c1-2-14(11-6-4-3-5-7-11)17-13-8-12(15)9-16-10-13/h3-10,14,17H,2,15H2,1H3
InChIKeySHSKPVXKNKYQQO-UHFFFAOYSA-N
XLogP3.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(1-phenylpropyl)benzene-1,3-diamine
CID 55058097
N-(1-phenylpropyl)quinolin-3-amine
CID 43691285
5-methyl-N-(1-phenylbutyl)pyridin-3-amine
CID 113354141
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 79916019
5-N-pentan-2-ylpyridine-3,5-diamine
CID 104532600
4-(1-phenylpropylamino)phenol
CID 43742837
5-bromo-2-N-(1-phenylpropyl)pyridine-2,3-diamine
CID 62305722
2-methyl-4-N-(1-phenylpropyl)pyrimidine-4,6-diamine
CID 80822605
6-methylsulfonyl-N-(1-phenylpropyl)pyridin-3-amine
CID 43675312
4-fluoro-3-methyl-N-(1-phenylpropyl)aniline
CID 62809853
5-N-(1-ethoxypropan-2-yl)pyridine-3,5-diamine
CID 104533935

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-phenylpropyl)pyridine-3,5-diamine?
The IUPAC name of 5-N-(1-phenylpropyl)pyridine-3,5-diamine (CID 104534194) is 5-N-(1-phenylpropyl)pyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-phenylpropyl)pyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-phenylpropyl)pyridine-3,5-diamine is CCC(Nc1cncc(N)c1)c1ccccc1.
What is the InChIKey of 5-N-(1-phenylpropyl)pyridine-3,5-diamine?
The InChIKey is SHSKPVXKNKYQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-14(11-6-4-3-5-7-11)17-13-8-12(15)9-16-10-13/h3-10,14,17H,2,15H2,1H3.
What are the key properties of 5-N-(1-phenylpropyl)pyridine-3,5-diamine?
5-N-(1-phenylpropyl)pyridine-3,5-diamine has a molecular weight of 227.31 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-phenylpropyl)pyridine-3,5-diamine is sourced from PubChem (CID 104534194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).