3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine

C13H25NO2 — CID 114467306

IUPAC3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCC(OC)C1
InChIInChI=1S/C13H25NO2/c1-11(2)10-16-8-7-14-12-5-4-6-13(9-12)15-3/h12-14H,1,4-10H2,2-3H3
InChIKeyKEFMCEWNGDRSCG-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds7

About 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine

3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine (PubChem CID 114467306) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
PubChem CID114467306
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCC(OC)C1
InChIInChI=1S/C13H25NO2/c1-11(2)10-16-8-7-14-12-5-4-6-13(9-12)15-3/h12-14H,1,4-10H2,2-3H3
InChIKeyKEFMCEWNGDRSCG-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxolan-2-yl)-N-(2-prop-2-enoxyethyl)ethanamine
CID 62572523
N-(2-butoxyethyl)-3-methoxycyclohexan-1-amine
CID 64090966
N-(2-ethoxyethyl)-3-methoxycyclohexan-1-amine
CID 64092955
N-(1-ethoxypropan-2-yl)-3-methoxycyclohexan-1-amine
CID 64093766
N-(2-methylprop-2-enyl)-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80719866
N-methyl-2-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 102633436
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 102731768
trans-(1S,2S)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 102731769
N-[2-(2-methylprop-2-enoxy)ethyl]-2-propyloxan-4-amine
CID 103991387
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104530387
3-methoxy-N-(2-propan-2-yloxyethyl)cyclohexan-1-amine
CID 104760102
N-(2-but-3-enoxyethyl)-3-methoxycyclohexan-1-amine
CID 108411468

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine (CID 114467306) is 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine is C=C(C)COCCNC1CCCC(OC)C1.
What is the InChIKey of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
The InChIKey is KEFMCEWNGDRSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)10-16-8-7-14-12-5-4-6-13(9-12)15-3/h12-14H,1,4-10H2,2-3H3.
What are the key properties of 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114467306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).