2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine

C17H33NO — CID 103074470

IUPAC2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H33NO/c1-12(2)16-8-7-14(5)9-17(16)19-11-15(6)10-18-13(3)4/h12-14,16-18H,6-11H2,1-5H3
InChIKeyRAVXKPRDASNLHE-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.02
Rot. Bonds7

About 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine

2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103074470) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
PubChem CID103074470
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H33NO/c1-12(2)16-8-7-14(5)9-17(16)19-11-15(6)10-18-13(3)4/h12-14,16-18H,6-11H2,1-5H3
InChIKeyRAVXKPRDASNLHE-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074469
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-(chloromethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 2724987
4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-ol
CID 16734861

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine (CID 103074470) is 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)COC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is RAVXKPRDASNLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-12(2)16-8-7-14(5)9-17(16)19-11-15(6)10-18-13(3)4/h12-14,16-18H,6-11H2,1-5H3.
What are the key properties of 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine?
2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103074470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).