[1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine

C16H33NO2 — CID 103032503

IUPAC[1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCC(C)(C)OC)CC1
InChIInChI=1S/C16H33NO2/c1-5-6-14-7-9-16(13-17,10-8-14)19-12-11-15(2,3)18-4/h14H,5-13,17H2,1-4H3
InChIKeyZSJYMRGKTQNCAT-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.51
Rot. Bonds8

About [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine

[1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine (PubChem CID 103032503) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine
PubChem CID103032503
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name[1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCC(C)(C)OC)CC1
InChIInChI=1S/C16H33NO2/c1-5-6-14-7-9-16(13-17,10-8-14)19-12-11-15(2,3)18-4/h14H,5-13,17H2,1-4H3
InChIKeyZSJYMRGKTQNCAT-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine?
The IUPAC name of [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine (CID 103032503) is [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine is CCCC1CCC(CN)(OCCC(C)(C)OC)CC1.
What is the InChIKey of [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine?
The InChIKey is ZSJYMRGKTQNCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-5-6-14-7-9-16(13-17,10-8-14)19-12-11-15(2,3)18-4/h14H,5-13,17H2,1-4H3.
What are the key properties of [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine?
[1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine has a molecular weight of 271.44 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxy-3-methylbutoxy)-4-propylcyclohexyl]methanamine is sourced from PubChem (CID 103032503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).