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

C13H27NO — CID 103903509

IUPAC1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine
SMILESCCOCC(C)NCC1(C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-10-12(2)14-11-13(3)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyUFXGXOPTQFVCEX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

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

1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine (PubChem CID 103903509) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine
PubChem CID103903509
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine
SMILESCCOCC(C)NCC1(C)CCCCC1
InChIInChI=1S/C13H27NO/c1-4-15-10-12(2)14-11-13(3)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3
InChIKeyUFXGXOPTQFVCEX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-(3-ethoxypropyl)-3,3,5-trimethylcyclohexan-1-amine
CID 16259084
(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
N-(2-methoxyethyl)-3,3-dimethylcyclohexan-1-amine
CID 64468633
4-fluoro-4-methyl-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 164787017
N-(2-butoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101588
N-(2-ethoxyethyl)-4-fluoro-4-methylcyclohexan-1-amine
CID 167101589
3,3,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60732879
4-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733032
2-tert-butyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63776665
4-(2-methylbutan-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 63826940
4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 64416607
3,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 64468718

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine (CID 103903509) is 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine is CCOCC(C)NCC1(C)CCCCC1.
What is the InChIKey of 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine?
The InChIKey is UFXGXOPTQFVCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-4-15-10-12(2)14-11-13(3)8-6-5-7-9-13/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine?
1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 103903509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).