N-(quinolin-5-ylmethyl)butan-2-amine

C14H18N2 — CID 62340535

IUPACN-(quinolin-5-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cccc2ncccc12
InChIInChI=1S/C14H18N2/c1-3-11(2)16-10-12-6-4-8-14-13(12)7-5-9-15-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyQNMWMSJJKLYZMK-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.12
Rot. Bonds4

About N-(quinolin-5-ylmethyl)butan-2-amine

N-(quinolin-5-ylmethyl)butan-2-amine (PubChem CID 62340535) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(quinolin-5-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-(quinolin-5-ylmethyl)butan-2-amine
PubChem CID62340535
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-(quinolin-5-ylmethyl)butan-2-amine
SMILESCCC(C)NCc1cccc2ncccc12
InChIInChI=1S/C14H18N2/c1-3-11(2)16-10-12-6-4-8-14-13(12)7-5-9-15-14/h4-9,11,16H,3,10H2,1-2H3
InChIKeyQNMWMSJJKLYZMK-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of N-(quinolin-5-ylmethyl)butan-2-amine?
The IUPAC name of N-(quinolin-5-ylmethyl)butan-2-amine (CID 62340535) is N-(quinolin-5-ylmethyl)butan-2-amine.
What is the SMILES notation for N-(quinolin-5-ylmethyl)butan-2-amine?
The canonical SMILES for N-(quinolin-5-ylmethyl)butan-2-amine is CCC(C)NCc1cccc2ncccc12.
What is the InChIKey of N-(quinolin-5-ylmethyl)butan-2-amine?
The InChIKey is QNMWMSJJKLYZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-11(2)16-10-12-6-4-8-14-13(12)7-5-9-15-14/h4-9,11,16H,3,10H2,1-2H3.
What are the key properties of N-(quinolin-5-ylmethyl)butan-2-amine?
N-(quinolin-5-ylmethyl)butan-2-amine has a molecular weight of 214.31 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(quinolin-5-ylmethyl)butan-2-amine is sourced from PubChem (CID 62340535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).