5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine

C14H23N3 — CID 104534762

IUPAC5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(C)CC2CC2)c1
InChIInChI=1S/C14H23N3/c1-3-6-16-13-8-14(10-15-9-13)17-11(2)7-12-4-5-12/h8-12,16-17H,3-7H2,1-2H3
InChIKeyHWWAVTBVYWEYPQ-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.50
Rot. Bonds7

About 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine

5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine (PubChem CID 104534762) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
PubChem CID104534762
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(C)CC2CC2)c1
InChIInChI=1S/C14H23N3/c1-3-6-16-13-8-14(10-15-9-13)17-11(2)7-12-4-5-12/h8-12,16-17H,3-7H2,1-2H3
InChIKeyHWWAVTBVYWEYPQ-UHFFFAOYSA-N
XLogP3.50
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine (CID 104534762) is 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NC(C)CC2CC2)c1.
What is the InChIKey of 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is HWWAVTBVYWEYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-6-16-13-8-14(10-15-9-13)17-11(2)7-12-4-5-12/h8-12,16-17H,3-7H2,1-2H3.
What are the key properties of 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine?
5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 233.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 104534762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).