[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine

C15H31NO2 — CID 113436771

IUPAC[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCCCOC)CC1
InChIInChI=1S/C15H31NO2/c1-3-6-14-7-9-15(13-16,10-8-14)18-12-5-4-11-17-2/h14H,3-13,16H2,1-2H3
InChIKeyWSMGXQWXKIEOSM-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.12
Rot. Bonds9

About [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine

[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine (PubChem CID 113436771) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
PubChem CID113436771
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCCCOC)CC1
InChIInChI=1S/C15H31NO2/c1-3-6-14-7-9-15(13-16,10-8-14)18-12-5-4-11-17-2/h14H,3-13,16H2,1-2H3
InChIKeyWSMGXQWXKIEOSM-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
[4-propyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 55036534
[1-(3-methoxypropoxy)cyclopentyl]methanamine
CID 62106813
(1-methoxy-4-propylcycloheptyl)methanamine
CID 66073417
(4-tert-butyl-1-octoxycyclohexyl)methanamine
CID 63475910
[1-(2-phenoxyethoxy)-4-propylcyclohexyl]methanamine
CID 62109697
[4-butyl-1-(3-methoxypropyl)cyclohexyl]methanamine
CID 62739053
[1-(oxolan-3-ylmethoxy)-4-propylcyclohexyl]methanamine
CID 55036245
1-[2-[1-(aminomethyl)-4-propylcyclohexyl]oxyethyl]imidazolidin-2-one
CID 65052804
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-N,N-diethylacetamide
CID 65052460
[1-[(4-bromophenyl)methoxy]-4-propylcyclohexyl]methanamine
CID 82832044
[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
CID 65052803

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine (CID 113436771) is [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCCCCOC)CC1.
What is the InChIKey of [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is WSMGXQWXKIEOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-3-6-14-7-9-15(13-16,10-8-14)18-12-5-4-11-17-2/h14H,3-13,16H2,1-2H3.
What are the key properties of [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine?
[1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 257.42 g/mol, XLogP of 3.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybutoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 113436771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).