N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine

C13H27NO — CID 62109080

IUPACN-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
SMILESCCOC1(CNC(C)C)CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-5-15-13(10-14-11(2)3)8-6-7-12(4)9-13/h11-12,14H,5-10H2,1-4H3
InChIKeyRTGQYEZNZHAFDI-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine

N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine (PubChem CID 62109080) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
PubChem CID62109080
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
SMILESCCOC1(CNC(C)C)CCCC(C)C1
InChIInChI=1S/C13H27NO/c1-5-15-13(10-14-11(2)3)8-6-7-12(4)9-13/h11-12,14H,5-10H2,1-4H3
InChIKeyRTGQYEZNZHAFDI-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 106205092
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062
1-[1-(1-ethoxypropan-2-yloxy)-3-methylcyclohexyl]-N-methylmethanamine
CID 103490163
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
CID 63474493
N-[(1-butoxy-3-methylcyclohexyl)methyl]cyclopropanamine
CID 62109925
N-[[1-[2-(2-methoxyethoxy)ethoxy]-3-methylcyclohexyl]methyl]ethanamine
CID 104565665
N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107292

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine (CID 62109080) is N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine is CCOC1(CNC(C)C)CCCC(C)C1.
What is the InChIKey of N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine?
The InChIKey is RTGQYEZNZHAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-15-13(10-14-11(2)3)8-6-7-12(4)9-13/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine?
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 62109080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).