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

C17H33NO — CID 106205092

IUPACN-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OCCC2CCC2)C1
InChIInChI=1S/C17H33NO/c1-14(2)18-13-17(10-5-6-15(3)12-17)19-11-9-16-7-4-8-16/h14-16,18H,4-13H2,1-3H3
InChIKeyLYVWLJJSTBYWHD-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds7

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

N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine (PubChem CID 106205092) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
PubChem CID106205092
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
SMILESCC1CCCC(CNC(C)C)(OCCC2CCC2)C1
InChIInChI=1S/C17H33NO/c1-14(2)18-13-17(10-5-6-15(3)12-17)19-11-9-16-7-4-8-16/h14-16,18H,4-13H2,1-3H3
InChIKeyLYVWLJJSTBYWHD-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexyl]methyl]propan-2-amine
CID 115942700
N-[(1-ethoxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62109080
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]propan-2-amine
CID 62110767
N-[(1-cyclobutyloxy-3-methylcyclohexyl)methyl]propan-2-amine
CID 62383858
N-[[1-[(2-fluorophenyl)methoxy]-3-methylcyclohexyl]methyl]propan-2-amine
CID 63934062
N-methyl-1-[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
CID 82956772
N-[[1-(2-methoxyethoxy)-4-methylcyclohexyl]methyl]propan-2-amine
CID 62106730
N-[(3-methyl-1-propan-2-yloxycyclohexyl)methyl]ethanamine
CID 62110098
N-[[1-(cyclohexylmethoxy)-3-methylcyclohexyl]methyl]ethanamine
CID 63474493
N-[[1-(2-ethoxyethoxy)-3-methylcyclohexyl]methyl]-2-methylpropan-2-amine
CID 55036396
N-[[3-methyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methyl]cyclopropanamine
CID 82958153
N-[[4-methyl-1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]propan-2-amine
CID 62108572

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine (CID 106205092) is N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine is CC1CCCC(CNC(C)C)(OCCC2CCC2)C1.
What is the InChIKey of N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
The InChIKey is LYVWLJJSTBYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)18-13-17(10-5-6-15(3)12-17)19-11-9-16-7-4-8-16/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine?
N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclobutylethoxy)-3-methylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 106205092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).