6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine

C19H32N2 — CID 63421316

IUPAC6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H32N2/c1-15(2)7-5-8-16(3)20-14-17-10-11-19-18(13-17)9-6-12-21(19)4/h10-11,13,15-16,20H,5-9,12,14H2,1-4H3
InChIKeyLSSVRILSOLTXOJ-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.37
Rot. Bonds7

About 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine

6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine (PubChem CID 63421316) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
PubChem CID63421316
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C19H32N2/c1-15(2)7-5-8-16(3)20-14-17-10-11-19-18(13-17)9-6-12-21(19)4/h10-11,13,15-16,20H,5-9,12,14H2,1-4H3
InChIKeyLSSVRILSOLTXOJ-UHFFFAOYSA-N
XLogP4.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine?
The IUPAC name of 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine (CID 63421316) is 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine.
What is the SMILES notation for 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine?
The canonical SMILES for 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine is CC(C)CCCC(C)NCc1ccc2c(c1)CCCN2C.
What is the InChIKey of 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine?
The InChIKey is LSSVRILSOLTXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)7-5-8-16(3)20-14-17-10-11-19-18(13-17)9-6-12-21(19)4/h10-11,13,15-16,20H,5-9,12,14H2,1-4H3.
What are the key properties of 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine?
6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine has a molecular weight of 288.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]heptan-2-amine is sourced from PubChem (CID 63421316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).