(1S)-1-quinolin-4-ylhexan-1-amine

C15H20N2 — CID 171236624

IUPAC(1S)-1-quinolin-4-ylhexan-1-amine
SMILESCCCCC[C@H](N)c1ccnc2ccccc12
InChIInChI=1S/C15H20N2/c1-2-3-4-8-14(16)12-10-11-17-15-9-6-5-7-13(12)15/h5-7,9-11,14H,2-4,8,16H2,1H3/t14-/m0/s1
InChIKeyKXDFSFBDRBESBC-AWEZNQCLSA-N
MW228.34 g/mol
LogP3.81
Rot. Bonds5

About (1S)-1-quinolin-4-ylhexan-1-amine

(1S)-1-quinolin-4-ylhexan-1-amine (PubChem CID 171236624) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (1S)-1-quinolin-4-ylhexan-1-amine.

Molecular Properties

Compound Name(1S)-1-quinolin-4-ylhexan-1-amine
PubChem CID171236624
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name(1S)-1-quinolin-4-ylhexan-1-amine
SMILESCCCCC[C@H](N)c1ccnc2ccccc12
InChIInChI=1S/C15H20N2/c1-2-3-4-8-14(16)12-10-11-17-15-9-6-5-7-13(12)15/h5-7,9-11,14H,2-4,8,16H2,1H3/t14-/m0/s1
InChIKeyKXDFSFBDRBESBC-AWEZNQCLSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-quinolin-4-ylhexan-1-amine;hydrochloride
CID 171236625
(1R)-1-quinolin-4-ylbutane-1,4-diamine;hydrochloride
CID 171216978
(4R)-4-amino-4-quinolin-4-ylbutan-1-ol;hydrochloride
CID 171217020
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
N-methyl-1-quinolin-4-yloctan-1-amine
CID 105124579
1-(2-methylquinolin-4-yl)octan-1-amine
CID 105124901
(1R)-1-naphthalen-1-ylhexan-1-amine
CID 171212033
(1S)-1-(4-methylnaphthalen-1-yl)hexan-1-amine
CID 171228529
1-isoquinolin-1-ylnonan-1-amine
CID 63948030
(Z)-2-quinolin-4-yloctadec-9-enamide
CID 122703946
(1R)-1-(4-methylnaphthalen-1-yl)hexan-1-amine;hydrochloride
CID 171208944
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049

Frequently Asked Questions

What is the IUPAC name of (1S)-1-quinolin-4-ylhexan-1-amine?
The IUPAC name of (1S)-1-quinolin-4-ylhexan-1-amine (CID 171236624) is (1S)-1-quinolin-4-ylhexan-1-amine.
What is the SMILES notation for (1S)-1-quinolin-4-ylhexan-1-amine?
The canonical SMILES for (1S)-1-quinolin-4-ylhexan-1-amine is CCCCC[C@H](N)c1ccnc2ccccc12.
What is the InChIKey of (1S)-1-quinolin-4-ylhexan-1-amine?
The InChIKey is KXDFSFBDRBESBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20N2/c1-2-3-4-8-14(16)12-10-11-17-15-9-6-5-7-13(12)15/h5-7,9-11,14H,2-4,8,16H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-quinolin-4-ylhexan-1-amine?
(1S)-1-quinolin-4-ylhexan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-quinolin-4-ylhexan-1-amine is sourced from PubChem (CID 171236624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).