2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline

C30H43N — CID 70364597

IUPAC2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline
SMILESCCCCCC1CCC(c2ccc(-c3ccc4c(n3)CCC(CCC)C4)cc2)CC1C
InChIInChI=1S/C30H43N/c1-4-6-7-9-24-11-16-27(20-22(24)3)25-12-14-26(15-13-25)29-19-17-28-21-23(8-5-2)10-18-30(28)31-29/h12-15,17,19,22-24,27H,4-11,16,18,20-21H2,1-3H3
InChIKeyHXLFNUNYEUMCAQ-UHFFFAOYSA-N
MW417.68 g/mol
LogP8.75
Rot. Bonds8

About 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline

2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline (PubChem CID 70364597) has the molecular formula C30H43N and a molecular weight of 417.68 g/mol. Its IUPAC name is 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline
PubChem CID70364597
Molecular FormulaC30H43N
Molecular Weight417.68 g/mol
Exact Mass417.34
IUPAC Name2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline
SMILESCCCCCC1CCC(c2ccc(-c3ccc4c(n3)CCC(CCC)C4)cc2)CC1C
InChIInChI=1S/C30H43N/c1-4-6-7-9-24-11-16-27(20-22(24)3)25-12-14-26(15-13-25)29-19-17-28-21-23(8-5-2)10-18-30(28)31-29/h12-15,17,19,22-24,27H,4-11,16,18,20-21H2,1-3H3
InChIKeyHXLFNUNYEUMCAQ-UHFFFAOYSA-N
XLogP8.75
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.68
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-hexyl-5,6,7,8-tetrahydroquinolin-2-yl)cyclopentan-1-amine
CID 175066876
5-ethyl-2-[4-[(1R,3R,4R)-3-methyl-4-propylcyclohexyl]phenyl]pyridine
CID 7283254
(6R)-2-[(E)-2-(4-butoxyphenyl)ethenyl]-6-pentyl-5,6,7,8-tetrahydroquinoline
CID 7283492
3-chloro-6-[4-(4-pentylcyclohexyl)phenyl]pyridazine
CID 14744678
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
5-heptoxy-2-[4-(4-hexylcyclohexyl)phenyl]pyridine
CID 139601512
6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865826
2-hexyl-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865964
2-butyl-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865614
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline (CID 70364597) is 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline is CCCCCC1CCC(c2ccc(-c3ccc4c(n3)CCC(CCC)C4)cc2)CC1C.
What is the InChIKey of 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline?
The InChIKey is HXLFNUNYEUMCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H43N/c1-4-6-7-9-24-11-16-27(20-22(24)3)25-12-14-26(15-13-25)29-19-17-28-21-23(8-5-2)10-18-30(28)31-29/h12-15,17,19,22-24,27H,4-11,16,18,20-21H2,1-3H3.
What are the key properties of 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline?
2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline has a molecular weight of 417.68 g/mol, XLogP of 8.75, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-4-pentylcyclohexyl)phenyl]-6-propyl-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 70364597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).