N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine

C13H25NO2 — CID 63559290

IUPACN-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
SMILESCNCC1(OC2CCOC2)CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-11-3-6-13(7-4-11,10-14-2)16-12-5-8-15-9-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVUSIAFXNMSYIAS-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.96
Rot. Bonds4

About N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine

N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine (PubChem CID 63559290) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
PubChem CID63559290
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine
SMILESCNCC1(OC2CCOC2)CCC(C)CC1
InChIInChI=1S/C13H25NO2/c1-11-3-6-13(7-4-11,10-14-2)16-12-5-8-15-9-12/h11-12,14H,3-10H2,1-2H3
InChIKeyVUSIAFXNMSYIAS-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-ethyl-1-(oxolan-3-yloxy)cyclohexyl]-N-methylmethanamine
CID 63556495
N-[[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methyl]ethanamine
CID 55214893
N-methyl-1-[4-methyl-1-(oxan-4-ylmethoxy)cyclohexyl]methanamine
CID 62382213
N-methyl-1-[1-(4-methylcyclohexyl)oxycycloheptyl]methanamine
CID 62107213
1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 62108000
N-[[1-(oxolan-3-yloxy)cyclohexyl]methyl]cyclopropanamine
CID 63557278
1-(1-cycloheptyloxycyclohexyl)-N-methylmethanamine
CID 62110565
[1-(oxolan-3-yloxy)cycloheptyl]methanamine
CID 63558677
1-[1-(4,4-dimethylcyclohexyl)oxy-4-propan-2-ylcyclohexyl]-N-methylmethanamine
CID 114342149
1-(1-cyclobutyloxy-4-ethylcyclohexyl)-N-methylmethanamine
CID 62382935
N-[[1-(3,4-dimethylcyclohexyl)oxy-4-methylcyclohexyl]methyl]propan-2-amine
CID 64744957
N-[[1-(oxan-4-yloxy)cyclopentyl]methyl]ethanamine
CID 62106808

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine (CID 63559290) is N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine is CNCC1(OC2CCOC2)CCC(C)CC1.
What is the InChIKey of N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine?
The InChIKey is VUSIAFXNMSYIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11-3-6-13(7-4-11,10-14-2)16-12-5-8-15-9-12/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine?
N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine has a molecular weight of 227.35 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-1-(oxolan-3-yloxy)cyclohexyl]methanamine is sourced from PubChem (CID 63559290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).