(1R)-1-quinolin-2-ylbutane-1,4-diamine

C13H17N3 — CID 171216930

IUPAC(1R)-1-quinolin-2-ylbutane-1,4-diamine
SMILESNCCC[C@@H](N)c1ccc2ccccc2n1
InChIInChI=1S/C13H17N3/c14-9-3-5-11(15)13-8-7-10-4-1-2-6-12(10)16-13/h1-2,4,6-8,11H,3,5,9,14-15H2/t11-/m1/s1
InChIKeyCPOBYZCPHHONKW-LLVKDONJSA-N
MW215.30 g/mol
LogP1.97
Rot. Bonds4

About (1R)-1-quinolin-2-ylbutane-1,4-diamine

(1R)-1-quinolin-2-ylbutane-1,4-diamine (PubChem CID 171216930) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is (1R)-1-quinolin-2-ylbutane-1,4-diamine.

Molecular Properties

Compound Name(1R)-1-quinolin-2-ylbutane-1,4-diamine
PubChem CID171216930
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name(1R)-1-quinolin-2-ylbutane-1,4-diamine
SMILESNCCC[C@@H](N)c1ccc2ccccc2n1
InChIInChI=1S/C13H17N3/c14-9-3-5-11(15)13-8-7-10-4-1-2-6-12(10)16-13/h1-2,4,6-8,11H,3,5,9,14-15H2/t11-/m1/s1
InChIKeyCPOBYZCPHHONKW-LLVKDONJSA-N
XLogP1.97
TPSA64.93 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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-quinolin-2-ylbutane-1,4-diamine
CID 171236567
1-quinolin-2-yloctan-1-amine
CID 63222846
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
(1S)-1-quinolin-2-ylpropan-1-amine;hydrochloride
CID 171236572
(1R)-3,3-difluoro-1-quinolin-2-ylpropan-1-amine
CID 171314038
amino(quinolin-2-yl)methanol
CID 154237779
(1S)-2-amino-1-quinolin-2-ylethanol
CID 96808696
4-amino-1-quinolin-2-ylbutane-1,2-diol
CID 171881473
3-ethyl-1-quinolin-2-ylheptan-1-amine
CID 63222758
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
2-(3,4-difluorophenyl)-1-quinolin-2-ylethanamine
CID 82910390

Frequently Asked Questions

What is the IUPAC name of (1R)-1-quinolin-2-ylbutane-1,4-diamine?
The IUPAC name of (1R)-1-quinolin-2-ylbutane-1,4-diamine (CID 171216930) is (1R)-1-quinolin-2-ylbutane-1,4-diamine.
What is the SMILES notation for (1R)-1-quinolin-2-ylbutane-1,4-diamine?
The canonical SMILES for (1R)-1-quinolin-2-ylbutane-1,4-diamine is NCCC[C@@H](N)c1ccc2ccccc2n1.
What is the InChIKey of (1R)-1-quinolin-2-ylbutane-1,4-diamine?
The InChIKey is CPOBYZCPHHONKW-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17N3/c14-9-3-5-11(15)13-8-7-10-4-1-2-6-12(10)16-13/h1-2,4,6-8,11H,3,5,9,14-15H2/t11-/m1/s1.
What are the key properties of (1R)-1-quinolin-2-ylbutane-1,4-diamine?
(1R)-1-quinolin-2-ylbutane-1,4-diamine has a molecular weight of 215.30 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-quinolin-2-ylbutane-1,4-diamine is sourced from PubChem (CID 171216930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).