2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

C19H30N2 — CID 81218537

IUPAC2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCCN(c2ccc3c(c2)CCC(C)N3)CC1
InChIInChI=1S/C19H30N2/c1-3-5-16-6-4-12-21(13-11-16)18-9-10-19-17(14-18)8-7-15(2)20-19/h9-10,14-16,20H,3-8,11-13H2,1-2H3
InChIKeyJKLPMGPFGIQHDV-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.84
Rot. Bonds3

About 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline

2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 81218537) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID81218537
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCCCC1CCCN(c2ccc3c(c2)CCC(C)N3)CC1
InChIInChI=1S/C19H30N2/c1-3-5-16-6-4-12-21(13-11-16)18-9-10-19-17(14-18)8-7-15(2)20-19/h9-10,14-16,20H,3-8,11-13H2,1-2H3
InChIKeyJKLPMGPFGIQHDV-UHFFFAOYSA-N
XLogP4.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215343
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 103496417
7-(4-propylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81215017
N,N-diethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81218412
N,N-dimethyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81215544
6-(3-methoxypyrrolidin-1-yl)-2-methyl-1,2,3,4-tetrahydroquinoline
CID 103534198
1-[4-methyl-3-(trifluoromethyl)phenyl]-4-propylazepane
CID 162613283
2-bromo-4-(4-propylazepan-1-yl)benzonitrile
CID 107276420
2-methyl-4-(4-propylazepan-1-yl)benzonitrile
CID 81282500
[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
7-(3-propylpyrrolidin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 113417684
2-[1-(methylamino)ethyl]-5-(4-propylazepan-1-yl)phenol
CID 79591465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline (CID 81218537) is 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is CCCC1CCCN(c2ccc3c(c2)CCC(C)N3)CC1.
What is the InChIKey of 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is JKLPMGPFGIQHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-3-5-16-6-4-12-21(13-11-16)18-9-10-19-17(14-18)8-7-15(2)20-19/h9-10,14-16,20H,3-8,11-13H2,1-2H3.
What are the key properties of 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline?
2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 286.46 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 81218537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).