3-methyl-2-quinolin-8-ylbutan-1-amine

C14H18N2 — CID 83886423

IUPAC3-methyl-2-quinolin-8-ylbutan-1-amine
SMILESCC(C)C(CN)c1cccc2cccnc12
InChIInChI=1S/C14H18N2/c1-10(2)13(9-15)12-7-3-5-11-6-4-8-16-14(11)12/h3-8,10,13H,9,15H2,1-2H3
InChIKeyPNTZOGMDZUIEQP-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.93
Rot. Bonds3

About 3-methyl-2-quinolin-8-ylbutan-1-amine

3-methyl-2-quinolin-8-ylbutan-1-amine (PubChem CID 83886423) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-methyl-2-quinolin-8-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-2-quinolin-8-ylbutan-1-amine
PubChem CID83886423
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-methyl-2-quinolin-8-ylbutan-1-amine
SMILESCC(C)C(CN)c1cccc2cccnc12
InChIInChI=1S/C14H18N2/c1-10(2)13(9-15)12-7-3-5-11-6-4-8-16-14(11)12/h3-8,10,13H,9,15H2,1-2H3
InChIKeyPNTZOGMDZUIEQP-UHFFFAOYSA-N
XLogP2.93
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-quinolin-8-ylethane-1,2-diamine
CID 63968089
N-(3,3-dimethylbutan-2-yl)-N-methyl-1-quinolin-8-ylethane-1,2-diamine
CID 63969124
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290
methyl 4-amino-3-quinolin-8-ylpentanoate
CID 66097911
1-quinolin-8-ylbutan-1-amine
CID 79016206
(2-methyl-1-quinolin-8-ylbutyl)hydrazine
CID 105219557
8-(dichloromethyl)quinoline
CID 19989328
methyl 4-amino-3-quinolin-8-ylbutanoate
CID 66098918
N-(2-methylprop-2-enyl)-1-quinolin-8-ylethane-1,2-diamine
CID 114616018
N,2-dimethyl-3-quinolin-8-ylbutan-1-amine
CID 81222761
5-methyl-1-quinolin-8-ylhexan-1-ol
CID 83158737
N-(4-bromophenyl)-1-quinolin-8-ylethane-1,2-diamine
CID 65384916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-quinolin-8-ylbutan-1-amine?
The IUPAC name of 3-methyl-2-quinolin-8-ylbutan-1-amine (CID 83886423) is 3-methyl-2-quinolin-8-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-2-quinolin-8-ylbutan-1-amine?
The canonical SMILES for 3-methyl-2-quinolin-8-ylbutan-1-amine is CC(C)C(CN)c1cccc2cccnc12.
What is the InChIKey of 3-methyl-2-quinolin-8-ylbutan-1-amine?
The InChIKey is PNTZOGMDZUIEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10(2)13(9-15)12-7-3-5-11-6-4-8-16-14(11)12/h3-8,10,13H,9,15H2,1-2H3.
What are the key properties of 3-methyl-2-quinolin-8-ylbutan-1-amine?
3-methyl-2-quinolin-8-ylbutan-1-amine has a molecular weight of 214.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-quinolin-8-ylbutan-1-amine is sourced from PubChem (CID 83886423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).