1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine

C10H17N3O — CID 106504408

IUPAC1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
SMILESCOc1ccc(NCCC(C)N)nc1
InChIInChI=1S/C10H17N3O/c1-8(11)5-6-12-10-4-3-9(14-2)7-13-10/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyWYYJHIDCGGKLIO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.24
Rot. Bonds5

About 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine

1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine (PubChem CID 106504408) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
PubChem CID106504408
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine
SMILESCOc1ccc(NCCC(C)N)nc1
InChIInChI=1S/C10H17N3O/c1-8(11)5-6-12-10-4-3-9(14-2)7-13-10/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyWYYJHIDCGGKLIO-UHFFFAOYSA-N
XLogP1.24
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorobutyl)-5-methoxypyridin-2-amine
CID 106505086
5-methoxy-N-propylpyridin-2-amine
CID 106503925
N'-(5-methoxy-2-pyridinyl)pentane-1,5-diamine
CID 107323439
5-methoxy-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 106504113
5-methoxy-N-(3-phenoxypropyl)pyridin-2-amine
CID 106504081
N-(6-chlorohexyl)-5-methoxypyridin-2-amine
CID 107846199
5-methoxy-N-(4-methoxybutan-2-yl)pyridin-2-amine
CID 103932146
N-[1-(4-aminophenyl)ethyl]-5-methoxypyridin-2-amine
CID 106504528
1-[(5-methoxy-2-pyridinyl)amino]pentan-2-ol
CID 104696792
2-N-(5-methoxy-2-pyridinyl)-3-methylbutane-1,2-diamine
CID 106504441
N-(5-methoxy-2-pyridinyl)-2,2-dimethylbutane-1,4-diamine
CID 106142213
N-(2-chloro-2-phenylethyl)-5-methoxypyridin-2-amine
CID 106505067

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine?
The IUPAC name of 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine (CID 106504408) is 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine?
The canonical SMILES for 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine is COc1ccc(NCCC(C)N)nc1.
What is the InChIKey of 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine?
The InChIKey is WYYJHIDCGGKLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(11)5-6-12-10-4-3-9(14-2)7-13-10/h3-4,7-8H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine?
1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methoxy-2-pyridinyl)butane-1,3-diamine is sourced from PubChem (CID 106504408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).