N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine

C17H28N2 — CID 62262104

IUPACN,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine
SMILESCCC(C)(CNC)CN1c2ccccc2CCC1C
InChIInChI=1S/C17H28N2/c1-5-17(3,12-18-4)13-19-14(2)10-11-15-8-6-7-9-16(15)19/h6-9,14,18H,5,10-13H2,1-4H3
InChIKeyCFVFMRGFWHTMCK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds5

About N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine

N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine (PubChem CID 62262104) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine
PubChem CID62262104
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine
SMILESCCC(C)(CNC)CN1c2ccccc2CCC1C
InChIInChI=1S/C17H28N2/c1-5-17(3,12-18-4)13-19-14(2)10-11-15-8-6-7-9-16(15)19/h6-9,14,18H,5,10-13H2,1-4H3
InChIKeyCFVFMRGFWHTMCK-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine (CID 62262104) is N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine is CCC(C)(CNC)CN1c2ccccc2CCC1C.
What is the InChIKey of N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine?
The InChIKey is CFVFMRGFWHTMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-17(3,12-18-4)13-19-14(2)10-11-15-8-6-7-9-16(15)19/h6-9,14,18H,5,10-13H2,1-4H3.
What are the key properties of N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine?
N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]butan-1-amine is sourced from PubChem (CID 62262104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).