(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride

C13H18ClN3 — CID 171216978

IUPAC(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccnc2ccccc12
InChIInChI=1S/C13H17N3.ClH/c14-8-3-5-12(15)10-7-9-16-13-6-2-1-4-11(10)13;/h1-2,4,6-7,9,12H,3,5,8,14-15H2;1H/t12-;/m1./s1
InChIKeyNTHAHQUWQFQNLD-UTONKHPSSA-N
MW251.76 g/mol
LogP2.40
Rot. Bonds4

About (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride

(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride (PubChem CID 171216978) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
PubChem CID171216978
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Name(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
SMILESCl.NCCC[C@@H](N)c1ccnc2ccccc12
InChIInChI=1S/C13H17N3.ClH/c14-8-3-5-12(15)10-7-9-16-13-6-2-1-4-11(10)13;/h1-2,4,6-7,9,12H,3,5,8,14-15H2;1H/t12-;/m1./s1
InChIKeyNTHAHQUWQFQNLD-UTONKHPSSA-N
XLogP2.40
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
(1R)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171314041
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
(1S)-3,3-difluoro-1-quinolin-4-ylpropan-1-amine
CID 171313405
(1R)-1-quinolin-4-ylprop-2-en-1-amine;hydrochloride
CID 171216982
[3-[amino(quinolin-4-yl)methyl]phenyl]-quinolin-4-ylmethanamine
CID 67722769
3-amino-2-quinolin-4-ylpropan-1-ol
CID 63215939
(1R)-1-(4-methylnaphthalen-1-yl)butane-1,4-diamine
CID 171208933
4-N-ethyl-4-N-quinolin-4-ylhexane-1,4-diamine
CID 67124581

Frequently Asked Questions

What is the IUPAC name of (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride?
The IUPAC name of (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride (CID 171216978) is (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride?
The canonical SMILES for (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride is Cl.NCCC[C@@H](N)c1ccnc2ccccc12.
What is the InChIKey of (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride?
The InChIKey is NTHAHQUWQFQNLD-UTONKHPSSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c14-8-3-5-12(15)10-7-9-16-13-6-2-1-4-11(10)13;/h1-2,4,6-7,9,12H,3,5,8,14-15H2;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride?
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride is sourced from PubChem (CID 171216978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).