4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine

C14H17ClN2 — CID 106844355

IUPAC4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
SMILESClCCCCNCc1ccc2ncccc2c1
InChIInChI=1S/C14H17ClN2/c15-7-1-2-8-16-11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10,16H,1-2,7-8,11H2
InChIKeySPCVLHOKFVRMAO-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.34
Rot. Bonds6

About 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine

4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine (PubChem CID 106844355) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
PubChem CID106844355
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC Name4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine
SMILESClCCCCNCc1ccc2ncccc2c1
InChIInChI=1S/C14H17ClN2/c15-7-1-2-8-16-11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10,16H,1-2,7-8,11H2
InChIKeySPCVLHOKFVRMAO-UHFFFAOYSA-N
XLogP3.34
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.34
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

3-cyclopropyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115639548
3-chloro-2,2-dimethyl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 115363507
3-imidazol-1-yl-N-(quinolin-6-ylmethyl)propan-1-amine
CID 60657424
6-(2-chloroethyl)quinoline
CID 53404433
2-pyrazol-1-yl-N-(quinolin-6-ylmethyl)ethanamine
CID 61070929
N-[2-(quinolin-6-ylmethylamino)ethyl]methanesulfonamide
CID 43546001
N-(quinolin-6-ylmethyl)prop-2-yn-1-amine
CID 28776188
N-[(3-methyl-2-pyridinyl)methyl]-1-quinolin-6-ylmethanamine
CID 63306756
N-(1,2-oxazol-5-ylmethyl)-1-quinolin-6-ylmethanamine
CID 106415087
6-chloro-N-[(3,4-dichlorophenyl)methyl]hexan-1-amine
CID 107845960
3-methyl-1-(quinolin-6-ylmethylamino)butan-2-ol
CID 115630613
4-chloro-N-(pyridin-3-ylmethyl)butan-1-amine
CID 106844346

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine?
The IUPAC name of 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine (CID 106844355) is 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine.
What is the SMILES notation for 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine?
The canonical SMILES for 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine is ClCCCCNCc1ccc2ncccc2c1.
What is the InChIKey of 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine?
The InChIKey is SPCVLHOKFVRMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-7-1-2-8-16-11-12-5-6-14-13(10-12)4-3-9-17-14/h3-6,9-10,16H,1-2,7-8,11H2.
What are the key properties of 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine?
4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine has a molecular weight of 248.76 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(quinolin-6-ylmethyl)butan-1-amine is sourced from PubChem (CID 106844355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).