6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine

C16H21ClN2 — CID 107845431

IUPAC6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
SMILESClCCCCCCNCc1cccc2cccnc12
InChIInChI=1S/C16H21ClN2/c17-10-3-1-2-4-11-18-13-15-8-5-7-14-9-6-12-19-16(14)15/h5-9,12,18H,1-4,10-11,13H2
InChIKeyYDIQKAVKUXIMLL-UHFFFAOYSA-N
MW276.81 g/mol
LogP4.12
Rot. Bonds8

About 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine

6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine (PubChem CID 107845431) has the molecular formula C16H21ClN2 and a molecular weight of 276.81 g/mol. Its IUPAC name is 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
PubChem CID107845431
Molecular FormulaC16H21ClN2
Molecular Weight276.81 g/mol
Exact Mass276.14
IUPAC Name6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
SMILESClCCCCCCNCc1cccc2cccnc12
InChIInChI=1S/C16H21ClN2/c17-10-3-1-2-4-11-18-13-15-8-5-7-14-9-6-12-19-16(14)15/h5-9,12,18H,1-4,10-11,13H2
InChIKeyYDIQKAVKUXIMLL-UHFFFAOYSA-N
XLogP4.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
N-(quinolin-8-ylmethyl)butan-1-amine
CID 28613793
3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2-chloro-N-(quinolin-8-ylmethyl)prop-2-en-1-amine
CID 79003767
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
N-[(3,5-dichlorophenyl)methyl]-1-quinolin-8-ylmethanamine
CID 78980821
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
2-(quinolin-8-ylmethylamino)acetic acid
CID 43135065
N-(1H-pyrrol-2-ylmethyl)-1-quinolin-8-ylmethanamine
CID 81428748
N-(pyrimidin-5-ylmethyl)-1-quinolin-8-ylmethanamine
CID 78921379

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine (CID 107845431) is 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine is ClCCCCCCNCc1cccc2cccnc12.
What is the InChIKey of 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine?
The InChIKey is YDIQKAVKUXIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2/c17-10-3-1-2-4-11-18-13-15-8-5-7-14-9-6-12-19-16(14)15/h5-9,12,18H,1-4,10-11,13H2.
What are the key properties of 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine?
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine has a molecular weight of 276.81 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine is sourced from PubChem (CID 107845431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).