N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine

C18H26N2 — CID 82447872

IUPACN-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)C)nc2c(C)cccc12
InChIInChI=1S/C18H26N2/c1-6-14(5)19-11-15-10-17(12(2)3)20-18-13(4)8-7-9-16(15)18/h7-10,12,14,19H,6,11H2,1-5H3
InChIKeyGQOUZYYEVLQBTR-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.55
Rot. Bonds5

About N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine

N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine (PubChem CID 82447872) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
PubChem CID82447872
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC NameN-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cc(C(C)C)nc2c(C)cccc12
InChIInChI=1S/C18H26N2/c1-6-14(5)19-11-15-10-17(12(2)3)20-18-13(4)8-7-9-16(15)18/h7-10,12,14,19H,6,11H2,1-5H3
InChIKeyGQOUZYYEVLQBTR-UHFFFAOYSA-N
XLogP4.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine
CID 82448955
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]ethanamine
CID 82447866
(8-methyl-2-propan-2-ylquinolin-4-yl)methanamine
CID 82447883
N-[(8-bromo-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449013
N-[(8-chloro-2-propan-2-ylquinolin-4-yl)methyl]propan-2-amine
CID 82448950
N-[(8-methoxy-2-methylquinolin-4-yl)methyl]butan-2-amine
CID 82449656
8-methyl-2-propan-2-ylquinolin-4-amine
CID 62198205
4-chloro-8-methyl-2-propan-2-ylquinoline
CID 43668842
N-[(2-tert-butyl-8-chloroquinolin-4-yl)methyl]butan-2-amine
CID 82448987
2-(8-methyl-2-propan-2-ylquinolin-4-yl)propan-2-ol
CID 82447884
N-[(2-methylphenyl)methyl]butan-2-amine chloride
CID 19629109
N-[(2,8-dimethylquinolin-4-yl)methyl]ethanamine
CID 82447822

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine (CID 82447872) is N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine is CCC(C)NCc1cc(C(C)C)nc2c(C)cccc12.
What is the InChIKey of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
The InChIKey is GQOUZYYEVLQBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2/c1-6-14(5)19-11-15-10-17(12(2)3)20-18-13(4)8-7-9-16(15)18/h7-10,12,14,19H,6,11H2,1-5H3.
What are the key properties of N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine?
N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine has a molecular weight of 270.42 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methyl-2-propan-2-ylquinolin-4-yl)methyl]butan-2-amine is sourced from PubChem (CID 82447872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).