3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline

C15H23N — CID 106781112

IUPAC3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCCC1CNc2ccccc2C1
InChIInChI=1S/C15H23N/c1-12(2)6-5-7-13-10-14-8-3-4-9-15(14)16-11-13/h3-4,8-9,12-13,16H,5-7,10-11H2,1-2H3
InChIKeyYRTLKSFFGKYDRA-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.10
Rot. Bonds4

About 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline

3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 106781112) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
PubChem CID106781112
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCCC1CNc2ccccc2C1
InChIInChI=1S/C15H23N/c1-12(2)6-5-7-13-10-14-8-3-4-9-15(14)16-11-13/h3-4,8-9,12-13,16H,5-7,10-11H2,1-2H3
InChIKeyYRTLKSFFGKYDRA-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-methoxypropyl)-1,2,3,4-tetrahydroquinoline
CID 76504253
5-(2,3,4,5-tetrahydro-1H-1-benzazepin-4-yl)pentan-2-ol
CID 70833978
N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)heptan-2-amine
CID 106902070
2,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106902230
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
CID 106902089
3-(3-methoxy-3-methylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106777711
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 106779338

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline (CID 106781112) is 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline is CC(C)CCCC1CNc2ccccc2C1.
What is the InChIKey of 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is YRTLKSFFGKYDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12(2)6-5-7-13-10-14-8-3-4-9-15(14)16-11-13/h3-4,8-9,12-13,16H,5-7,10-11H2,1-2H3.
What are the key properties of 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline?
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 217.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 106781112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).