but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine

C17H35NO2 — CID 142544115

IUPACbut-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine
SMILESC=CCC.CNC.CO/C=C/CC1(O)CCCCC1C
InChIInChI=1S/C11H20O2.C4H8.C2H7N/c1-10-6-3-4-7-11(10,12)8-5-9-13-2;1-3-4-2;1-3-2/h5,9-10,12H,3-4,6-8H2,1-2H3;3H,1,4H2,2H3;3H,1-2H3/b9-5+;;
InChIKeyAFRRSBXVIPTIKQ-KJDUPKRESA-N
MW285.47 g/mol
LogP3.90
Rot. Bonds4

About but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine

but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine (PubChem CID 142544115) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine.

Molecular Properties

Compound Namebut-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine
PubChem CID142544115
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Namebut-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine
SMILESC=CCC.CNC.CO/C=C/CC1(O)CCCCC1C
InChIInChI=1S/C11H20O2.C4H8.C2H7N/c1-10-6-3-4-7-11(10,12)8-5-9-13-2;1-3-4-2;1-3-2/h5,9-10,12H,3-4,6-8H2,1-2H3;3H,1,4H2,2H3;3H,1-2H3/b9-5+;;
InChIKeyAFRRSBXVIPTIKQ-KJDUPKRESA-N
XLogP3.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

(1R)-2-methyl-1-prop-2-enylcyclopentan-1-ol
CID 147800064
cis-(1R,2S)-1-(aminomethyl)-2-methylcyclohexan-1-ol
CID 93046973
methyl 2-methyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353103
but-1-ene;1,1,2,3-tetramethylcyclohexane
CID 142112432
trans-(1S,2R)-2-diethoxyphosphoryl-1-prop-2-enylcyclohexan-1-ol
CID 23420153
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
but-1-ene;ethane;methylcyclopentane
CID 153403390
2-methyl-1,1-bis(prop-2-enoxymethyl)cyclohexane
CID 139896276
2-(1-hydroxy-2-methoxycyclohexyl)acetaldehyde
CID 106875208
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
1-(2-hydroxy-2-prop-2-enylcyclohexyl)-2-methylprop-2-en-1-one
CID 138975442
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719

Frequently Asked Questions

What is the IUPAC name of but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine?
The IUPAC name of but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine (CID 142544115) is but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine.
What is the SMILES notation for but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine?
The canonical SMILES for but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine is C=CCC.CNC.CO/C=C/CC1(O)CCCCC1C.
What is the InChIKey of but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine?
The InChIKey is AFRRSBXVIPTIKQ-KJDUPKRESA-N. The full InChI is InChI=1S/C11H20O2.C4H8.C2H7N/c1-10-6-3-4-7-11(10,12)8-5-9-13-2;1-3-4-2;1-3-2/h5,9-10,12H,3-4,6-8H2,1-2H3;3H,1,4H2,2H3;3H,1-2H3/b9-5+;;.
What are the key properties of but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine?
but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine has a molecular weight of 285.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;1-[(E)-3-methoxyprop-2-enyl]-2-methylcyclohexan-1-ol;N-methylmethanamine is sourced from PubChem (CID 142544115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).