N-(quinolin-8-ylmethyl)butan-1-amine

C14H18N2 — CID 28613793

IUPACN-(quinolin-8-ylmethyl)butan-1-amine
SMILESCCCCNCc1cccc2cccnc12
InChIInChI=1S/C14H18N2/c1-2-3-9-15-11-13-7-4-6-12-8-5-10-16-14(12)13/h4-8,10,15H,2-3,9,11H2,1H3
InChIKeyWNJQLVNTHZHLIG-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.12
Rot. Bonds5

About N-(quinolin-8-ylmethyl)butan-1-amine

N-(quinolin-8-ylmethyl)butan-1-amine (PubChem CID 28613793) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(quinolin-8-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-(quinolin-8-ylmethyl)butan-1-amine
PubChem CID28613793
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(quinolin-8-ylmethyl)butan-1-amine
SMILESCCCCNCc1cccc2cccnc12
InChIInChI=1S/C14H18N2/c1-2-3-9-15-11-13-7-4-6-12-8-5-10-16-14(12)13/h4-8,10,15H,2-3,9,11H2,1H3
InChIKeyWNJQLVNTHZHLIG-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.12
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

3-fluoro-N-(quinolin-8-ylmethyl)propan-1-amine
CID 81435594
6-chloro-N-(quinolin-8-ylmethyl)hexan-1-amine
CID 107845431
5-(quinolin-8-ylmethylamino)pentan-1-ol
CID 81427382
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
1-(2,3-dimethylphenyl)-N-(quinolin-8-ylmethyl)methanamine
CID 78980832
3-ethylsulfonyl-N-(2-quinolin-8-ylethyl)propan-1-amine
CID 81426941
2-[(2-quinolin-8-ylethylamino)methyl]phenol
CID 78916472
2-(quinolin-8-ylmethylamino)ethyl carbamate
CID 83209261
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
N'-cyclopentyl-N'-methyl-N-(quinolin-8-ylmethyl)ethane-1,2-diamine
CID 63314495
2,2,2-trifluoro-N-(quinolin-8-ylmethyl)ethanamine
CID 28608711
ethyl 2-[2-(quinolin-8-ylmethylamino)ethoxy]acetate
CID 103258791

Frequently Asked Questions

What is the IUPAC name of N-(quinolin-8-ylmethyl)butan-1-amine?
The IUPAC name of N-(quinolin-8-ylmethyl)butan-1-amine (CID 28613793) is N-(quinolin-8-ylmethyl)butan-1-amine.
What is the SMILES notation for N-(quinolin-8-ylmethyl)butan-1-amine?
The canonical SMILES for N-(quinolin-8-ylmethyl)butan-1-amine is CCCCNCc1cccc2cccnc12.
What is the InChIKey of N-(quinolin-8-ylmethyl)butan-1-amine?
The InChIKey is WNJQLVNTHZHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-3-9-15-11-13-7-4-6-12-8-5-10-16-14(12)13/h4-8,10,15H,2-3,9,11H2,1H3.
What are the key properties of N-(quinolin-8-ylmethyl)butan-1-amine?
N-(quinolin-8-ylmethyl)butan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-8-ylmethyl)butan-1-amine is sourced from PubChem (CID 28613793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).