N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine

C15H31NO — CID 174464248

IUPACN-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine
SMILESCCCN(C)CCCCOC1CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-4-11-16(3)12-5-6-13-17-15-9-7-14(2)8-10-15/h14-15H,4-13H2,1-3H3
InChIKeyFNSLUJIEESIKOM-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.70
Rot. Bonds8

About N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine

N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine (PubChem CID 174464248) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine
PubChem CID174464248
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine
SMILESCCCN(C)CCCCOC1CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-4-11-16(3)12-5-6-13-17-15-9-7-14(2)8-10-15/h14-15H,4-13H2,1-3H3
InChIKeyFNSLUJIEESIKOM-UHFFFAOYSA-N
XLogP3.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxycyclohexyl)-N,N-diethyl-2,2-difluoroethanamine
CID 176558045
Carbanide;methyl-[2-(4-propoxycyclohexyl)ethyl]azanide;tungsten(2+)
CID 23395973
N,N-dimethyl-2-(4-methylcyclohexyl)oxyethanamine
CID 57693047
1-Ethyl-4-(3-propan-2-yloxypropyl)piperidine
CID 68267209
1-[2-(4-Methylcyclohexyl)oxyethyl]pyrrolidine
CID 71235973
4-ethyl-N-methyl-6-propan-2-yloxy-N-propylhexan-1-amine
CID 88903980
3-(2-Methoxypropyl)-1-methylpiperidine
CID 89119957
3-(2-Methoxybutyl)-1-methylpiperidine
CID 89265048
3-(cyclohexylmethoxy)-N-methyl-N-propylbutan-1-amine
CID 91126672
N,N-diethylethanamine;1-methoxy-4-methylcyclohexane
CID 91392056
1-Ethyl-4-(4-methylcyclohexyl)oxypiperidine
CID 127296516
1-[(4-Propan-2-yloxycyclohexyl)methyl]pyrrolidine
CID 137510261

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine?
The IUPAC name of N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine (CID 174464248) is N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine.
What is the SMILES notation for N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine?
The canonical SMILES for N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine is CCCN(C)CCCCOC1CCC(C)CC1.
What is the InChIKey of N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine?
The InChIKey is FNSLUJIEESIKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-11-16(3)12-5-6-13-17-15-9-7-14(2)8-10-15/h14-15H,4-13H2,1-3H3.
What are the key properties of N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine?
N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylcyclohexyl)oxy-N-propylbutan-1-amine is sourced from PubChem (CID 174464248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).