N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

C17H31NO — CID 103074469

IUPACN-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H31NO/c1-12(2)16-8-5-13(3)9-17(16)19-11-14(4)10-18-15-6-7-15/h12-13,15-18H,4-11H2,1-3H3
InChIKeyOVYAITOWJVCQMI-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.77
Rot. Bonds7

About N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103074469) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
PubChem CID103074469
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CC(C)CCC1C(C)C
InChIInChI=1S/C17H31NO/c1-12(2)16-8-5-13(3)9-17(16)19-11-14(4)10-18-15-6-7-15/h12-13,15-18H,4-11H2,1-3H3
InChIKeyOVYAITOWJVCQMI-UHFFFAOYSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.77
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

2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074470
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 N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (CID 103074469) is N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CC(C)CCC1C(C)C.
What is the InChIKey of N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is OVYAITOWJVCQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-12(2)16-8-5-13(3)9-17(16)19-11-14(4)10-18-15-6-7-15/h12-13,15-18H,4-11H2,1-3H3.
What are the key properties of N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 265.44 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).