4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol

C12H23NO2 — CID 106595271

IUPAC4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
SMILESC=C(C)COCCNC1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-15-8-7-13-11-3-5-12(14)6-4-11/h11-14H,1,3-9H2,2H3
InChIKeyBNKSYCWDYBASSD-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds6

About 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol

4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol (PubChem CID 106595271) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
PubChem CID106595271
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
SMILESC=C(C)COCCNC1CCC(O)CC1
InChIInChI=1S/C12H23NO2/c1-10(2)9-15-8-7-13-11-3-5-12(14)6-4-11/h11-14H,1,3-9H2,2H3
InChIKeyBNKSYCWDYBASSD-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
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

N-hexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 67485005
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
4-(2-Ethoxyethylamino)cyclohexan-1-ol
CID 103604849
4-(2-Propan-2-yloxyethylamino)cyclohexan-1-ol
CID 103604859
4-(1-Ethoxypropan-2-ylamino)cyclohexan-1-ol
CID 103904589
N-methyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 104454396
N-ethyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 104454809
4-(2-methylprop-2-enoxy)-N-propylcyclohexan-1-amine
CID 104455192
4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
CID 104530387
4-(2-Butoxyethylamino)cyclohexan-1-ol
CID 106594457

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol?
The IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol (CID 106595271) is 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol is C=C(C)COCCNC1CCC(O)CC1.
What is the InChIKey of 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol?
The InChIKey is BNKSYCWDYBASSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)9-15-8-7-13-11-3-5-12(14)6-4-11/h11-14H,1,3-9H2,2H3.
What are the key properties of 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol?
4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol is sourced from PubChem (CID 106595271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).