1-N-quinolin-4-ylbutane-1,2-diamine

C13H17N3 — CID 63730587

IUPAC1-N-quinolin-4-ylbutane-1,2-diamine
SMILESCCC(N)CNc1ccnc2ccccc12
InChIInChI=1S/C13H17N3/c1-2-10(14)9-16-13-7-8-15-12-6-4-3-5-11(12)13/h3-8,10H,2,9,14H2,1H3,(H,15,16)
InChIKeyJSDGHNXKMCZGGG-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.38
Rot. Bonds4

About 1-N-quinolin-4-ylbutane-1,2-diamine

1-N-quinolin-4-ylbutane-1,2-diamine (PubChem CID 63730587) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-N-quinolin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-quinolin-4-ylbutane-1,2-diamine
PubChem CID63730587
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-N-quinolin-4-ylbutane-1,2-diamine
SMILESCCC(N)CNc1ccnc2ccccc12
InChIInChI=1S/C13H17N3/c1-2-10(14)9-16-13-7-8-15-12-6-4-3-5-11(12)13/h3-8,10H,2,9,14H2,1H3,(H,15,16)
InChIKeyJSDGHNXKMCZGGG-UHFFFAOYSA-N
XLogP2.38
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylbutyl)quinolin-4-amine
CID 62694785
N-(2-chloro-3-ethylpentyl)quinolin-4-amine
CID 106287021
N-ethylquinolin-4-amine
CID 15306588
N-(2,2-difluoroethyl)quinolin-4-amine
CID 79099279
1-(quinolin-4-ylamino)pentan-2-ol
CID 113234733
N-[2-(2-chloroethyl)pentyl]quinolin-4-amine
CID 106117398
N-pentan-3-ylquinolin-4-amine
CID 61340263
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
1-N-(2-methylphenyl)butane-1,2-diamine
CID 19374458
N-methyl-N'-quinolin-4-ylethane-1,2-diamine
CID 62658935
N-[[2-[(quinolin-4-ylamino)methyl]phenyl]methyl]quinolin-4-amine
CID 67723222
N-(1-chlorobutan-2-yl)quinolin-4-amine
CID 65030067

Frequently Asked Questions

What is the IUPAC name of 1-N-quinolin-4-ylbutane-1,2-diamine?
The IUPAC name of 1-N-quinolin-4-ylbutane-1,2-diamine (CID 63730587) is 1-N-quinolin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-quinolin-4-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-quinolin-4-ylbutane-1,2-diamine is CCC(N)CNc1ccnc2ccccc12.
What is the InChIKey of 1-N-quinolin-4-ylbutane-1,2-diamine?
The InChIKey is JSDGHNXKMCZGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-10(14)9-16-13-7-8-15-12-6-4-3-5-11(12)13/h3-8,10H,2,9,14H2,1H3,(H,15,16).
What are the key properties of 1-N-quinolin-4-ylbutane-1,2-diamine?
1-N-quinolin-4-ylbutane-1,2-diamine has a molecular weight of 215.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-quinolin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 63730587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).