methylcyclohexane;1-methyl-3-pentylpiperidine

C18H37N — CID 143571089

IUPACmethylcyclohexane;1-methyl-3-pentylpiperidine
SMILESCC1CCCCC1.CCCCCC1CCCN(C)C1
InChIInChI=1S/C11H23N.C7H14/c1-3-4-5-7-11-8-6-9-12(2)10-11;1-7-5-3-2-4-6-7/h11H,3-10H2,1-2H3;7H,2-6H2,1H3
InChIKeyBRHZRAWQWQVSNT-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.50
Rot. Bonds4

About methylcyclohexane;1-methyl-3-pentylpiperidine

methylcyclohexane;1-methyl-3-pentylpiperidine (PubChem CID 143571089) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is methylcyclohexane;1-methyl-3-pentylpiperidine.

Molecular Properties

Compound Namemethylcyclohexane;1-methyl-3-pentylpiperidine
PubChem CID143571089
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Namemethylcyclohexane;1-methyl-3-pentylpiperidine
SMILESCC1CCCCC1.CCCCCC1CCCN(C)C1
InChIInChI=1S/C11H23N.C7H14/c1-3-4-5-7-11-8-6-9-12(2)10-11;1-7-5-3-2-4-6-7/h11H,3-10H2,1-2H3;7H,2-6H2,1H3
InChIKeyBRHZRAWQWQVSNT-UHFFFAOYSA-N
XLogP5.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-methyl-3-pentylpiperidine
CID 143571155
3-butyl-1-methylpiperidine;hydrofluoride
CID 175875067
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
1-methyl-4-pentylcycloheptane
CID 123318058
4-(1-methylpiperidin-3-yl)butan-1-ol
CID 70064070
1,3-di(tridecyl)piperidine
CID 162511834
1-butyl-4-methylcyclooctane
CID 123623113
tetradecylcycloundecane
CID 169026040
docosylcyclohexane
CID 521991
octylcyclotetradecane
CID 175261841
tetradecylcyclododecane
CID 169026037
azane;heptylcyclohexane
CID 121434222

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;1-methyl-3-pentylpiperidine?
The IUPAC name of methylcyclohexane;1-methyl-3-pentylpiperidine (CID 143571089) is methylcyclohexane;1-methyl-3-pentylpiperidine.
What is the SMILES notation for methylcyclohexane;1-methyl-3-pentylpiperidine?
The canonical SMILES for methylcyclohexane;1-methyl-3-pentylpiperidine is CC1CCCCC1.CCCCCC1CCCN(C)C1.
What is the InChIKey of methylcyclohexane;1-methyl-3-pentylpiperidine?
The InChIKey is BRHZRAWQWQVSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.C7H14/c1-3-4-5-7-11-8-6-9-12(2)10-11;1-7-5-3-2-4-6-7/h11H,3-10H2,1-2H3;7H,2-6H2,1H3.
What are the key properties of methylcyclohexane;1-methyl-3-pentylpiperidine?
methylcyclohexane;1-methyl-3-pentylpiperidine has a molecular weight of 267.50 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;1-methyl-3-pentylpiperidine is sourced from PubChem (CID 143571089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).