2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine

C11H21NO2 — CID 103074789

IUPAC2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCCC(OC)C1
InChIInChI=1S/C11H21NO2/c1-9(7-12)8-14-11-5-3-4-10(6-11)13-2/h10-11H,1,3-8,12H2,2H3
InChIKeyAECXWWIOELGKBO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.48
Rot. Bonds5

About 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine

2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine (PubChem CID 103074789) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine
PubChem CID103074789
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine
SMILESC=C(CN)COC1CCCC(OC)C1
InChIInChI=1S/C11H21NO2/c1-9(7-12)8-14-11-5-3-4-10(6-11)13-2/h10-11H,1,3-8,12H2,2H3
InChIKeyAECXWWIOELGKBO-UHFFFAOYSA-N
XLogP1.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074784
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046
1-(3-methoxycyclohexyl)ethenamine
CID 145478240
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
2-[(2-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074413
9-(3-methoxycyclohexyl)oxynonane-1-thiol
CID 105344459
N-ethyl-2-(3-methoxycyclohexyl)oxy-N-(thiolan-2-ylmethyl)acetamide
CID 140621968
cis-(1S,3R)-3-methoxycyclohexan-1-amine
CID 51381085
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
methyl 2-acetamido-3-(3-methoxycyclohexyl)oxypropanoate
CID 65442802
ethyl (E)-4-(3-methoxycyclohexyl)oxybut-2-enoate
CID 80545979
cis-(1S,3R)-1,3-dimethoxycyclopentane
CID 22214084

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine?
The IUPAC name of 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine (CID 103074789) is 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine is C=C(CN)COC1CCCC(OC)C1.
What is the InChIKey of 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine?
The InChIKey is AECXWWIOELGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(7-12)8-14-11-5-3-4-10(6-11)13-2/h10-11H,1,3-8,12H2,2H3.
What are the key properties of 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine?
2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine has a molecular weight of 199.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).