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

C14H25N3O — CID 113424095

IUPAC5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(COC)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-5-6-16-12-7-13(9-15-8-12)17-14(10-18-4)11(2)3/h7-9,11,14,16-17H,5-6,10H2,1-4H3
InChIKeyONXVADWMHPWQBC-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds8

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

5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine (PubChem CID 113424095) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine.

Molecular Properties

Compound Name5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
PubChem CID113424095
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine
SMILESCCCNc1cncc(NC(COC)C(C)C)c1
InChIInChI=1S/C14H25N3O/c1-5-6-16-12-7-13(9-15-8-12)17-14(10-18-4)11(2)3/h7-9,11,14,16-17H,5-6,10H2,1-4H3
InChIKeyONXVADWMHPWQBC-UHFFFAOYSA-N
XLogP2.99
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535214
5-N-pentan-3-yl-3-N-propylpyridine-3,5-diamine
CID 104532563
3-[[5-(propylamino)-3-pyridinyl]amino]butan-1-ol
CID 104535704
5-N-(1-cyclopropylethyl)-3-N-propylpyridine-3,5-diamine
CID 104532953
5-N-(2-ethoxyethyl)-3-N-propylpyridine-3,5-diamine
CID 104533066
5-N-(2-methoxyethyl)-5-N-propan-2-yl-3-N-propylpyridine-3,5-diamine
CID 113424214
5-fluoro-4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80841997
5-N-(1-cyclopropylpropan-2-yl)-3-N-propylpyridine-3,5-diamine
CID 104534762
3-N-ethyl-5-N-(4-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534908
3-N-propyl-5-N-(1-thiophen-3-ylpropan-2-yl)pyridine-3,5-diamine
CID 104533484
5-N-(3,5-dimethylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532378
5-N-(1-methoxypentan-2-yl)-3-N-methylpyridine-3,5-diamine
CID 104534857

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine?
The IUPAC name of 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine (CID 113424095) is 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine.
What is the SMILES notation for 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine?
The canonical SMILES for 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine is CCCNc1cncc(NC(COC)C(C)C)c1.
What is the InChIKey of 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine?
The InChIKey is ONXVADWMHPWQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-5-6-16-12-7-13(9-15-8-12)17-14(10-18-4)11(2)3/h7-9,11,14,16-17H,5-6,10H2,1-4H3.
What are the key properties of 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine?
5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-methoxy-3-methylbutan-2-yl)-3-N-propylpyridine-3,5-diamine is sourced from PubChem (CID 113424095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).