3-methyl-4-quinolin-2-ylbutan-1-amine

C14H18N2 — CID 81014327

IUPAC3-methyl-4-quinolin-2-ylbutan-1-amine
SMILESCC(CCN)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2/c1-11(8-9-15)10-13-7-6-12-4-2-3-5-14(12)16-13/h2-7,11H,8-10,15H2,1H3
InChIKeyNFGRJHKEORPBRE-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.76
Rot. Bonds4

About 3-methyl-4-quinolin-2-ylbutan-1-amine

3-methyl-4-quinolin-2-ylbutan-1-amine (PubChem CID 81014327) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-4-quinolin-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-4-quinolin-2-ylbutan-1-amine
PubChem CID81014327
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-methyl-4-quinolin-2-ylbutan-1-amine
SMILESCC(CCN)Cc1ccc2ccccc2n1
InChIInChI=1S/C14H18N2/c1-11(8-9-15)10-13-7-6-12-4-2-3-5-14(12)16-13/h2-7,11H,8-10,15H2,1H3
InChIKeyNFGRJHKEORPBRE-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-quinolin-2-ylpentan-2-amine
CID 43118767
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
(4-methyl-1-quinolin-2-ylpentan-2-yl)hydrazine
CID 105198882
CID 89210421
CID 89210421
2-amino-3-quinolin-2-ylpropan-1-ol
CID 64572856
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
(2S)-2-amino-3-quinolin-2-ylpropanal
CID 18667095
1-quinolin-2-ylhexan-2-ylhydrazine
CID 105245631
3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine
CID 63225623
2-[(2R)-4-methyl-2-phenylpentyl]quinoline
CID 153438470
N-propan-2-yl-N-(quinolin-2-ylmethyl)propan-2-amine
CID 20687195

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-quinolin-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-4-quinolin-2-ylbutan-1-amine (CID 81014327) is 3-methyl-4-quinolin-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-4-quinolin-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-4-quinolin-2-ylbutan-1-amine is CC(CCN)Cc1ccc2ccccc2n1.
What is the InChIKey of 3-methyl-4-quinolin-2-ylbutan-1-amine?
The InChIKey is NFGRJHKEORPBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(8-9-15)10-13-7-6-12-4-2-3-5-14(12)16-13/h2-7,11H,8-10,15H2,1H3.
What are the key properties of 3-methyl-4-quinolin-2-ylbutan-1-amine?
3-methyl-4-quinolin-2-ylbutan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-quinolin-2-ylbutan-1-amine is sourced from PubChem (CID 81014327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).