3-N-quinolin-4-ylbutane-1,3-diamine

C13H17N3 — CID 83179618

IUPAC3-N-quinolin-4-ylbutane-1,3-diamine
SMILESCC(CCN)Nc1ccnc2ccccc12
InChIInChI=1S/C13H17N3/c1-10(6-8-14)16-13-7-9-15-12-5-3-2-4-11(12)13/h2-5,7,9-10H,6,8,14H2,1H3,(H,15,16)
InChIKeyWPFXJDAIGGQONV-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.38
Rot. Bonds4

About 3-N-quinolin-4-ylbutane-1,3-diamine

3-N-quinolin-4-ylbutane-1,3-diamine (PubChem CID 83179618) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-N-quinolin-4-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-quinolin-4-ylbutane-1,3-diamine
PubChem CID83179618
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name3-N-quinolin-4-ylbutane-1,3-diamine
SMILESCC(CCN)Nc1ccnc2ccccc12
InChIInChI=1S/C13H17N3/c1-10(6-8-14)16-13-7-9-15-12-5-3-2-4-11(12)13/h2-5,7,9-10H,6,8,14H2,1H3,(H,15,16)
InChIKeyWPFXJDAIGGQONV-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

3-(quinolin-4-ylamino)butanamide
CID 115685011
N-pentan-3-ylquinolin-4-amine
CID 61340263
N-(1-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 79267735
N-(1-cyclopropylethyl)quinolin-4-amine
CID 61340996
N-(1-chlorobutan-2-yl)quinolin-4-amine
CID 65030067
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
N-(1-methoxypropan-2-yl)quinolin-5-amine
CID 62536398
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
N-ethylquinolin-4-amine
CID 15306588
(2R)-2-N-(quinolin-4-ylmethyl)propane-1,2-diamine
CID 104868148
N'-quinolin-4-ylpentane-1,5-diamine
CID 107323516
N-(2-methylbutyl)quinolin-4-amine
CID 62694785

Frequently Asked Questions

What is the IUPAC name of 3-N-quinolin-4-ylbutane-1,3-diamine?
The IUPAC name of 3-N-quinolin-4-ylbutane-1,3-diamine (CID 83179618) is 3-N-quinolin-4-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-quinolin-4-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-quinolin-4-ylbutane-1,3-diamine is CC(CCN)Nc1ccnc2ccccc12.
What is the InChIKey of 3-N-quinolin-4-ylbutane-1,3-diamine?
The InChIKey is WPFXJDAIGGQONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-10(6-8-14)16-13-7-9-15-12-5-3-2-4-11(12)13/h2-5,7,9-10H,6,8,14H2,1H3,(H,15,16).
What are the key properties of 3-N-quinolin-4-ylbutane-1,3-diamine?
3-N-quinolin-4-ylbutane-1,3-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 3-N-quinolin-4-ylbutane-1,3-diamine is sourced from PubChem (CID 83179618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).