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

C13H25NO2 — CID 114465645

IUPAC2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCCC1OC
InChIInChI=1S/C13H25NO2/c1-11(2)10-16-9-8-14-12-6-4-5-7-13(12)15-3/h12-14H,1,4-10H2,2-3H3
InChIKeyHCEKCGSOQQJRFQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds7

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

2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine (PubChem CID 114465645) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
PubChem CID114465645
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine
SMILESC=C(C)COCCNC1CCCCC1OC
InChIInChI=1S/C13H25NO2/c1-11(2)10-16-9-8-14-12-6-4-5-7-13(12)15-3/h12-14H,1,4-10H2,2-3H3
InChIKeyHCEKCGSOQQJRFQ-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

N-hexyl-4-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 67485005
2-(2-Methylprop-2-enoxymethyl)piperidine
CID 62339397
N-(2-prop-2-enoxypropyl)cyclohexanamine
CID 62570818
2-(2-Methylidenebutoxymethyl)piperidine
CID 66045265
N-methyl-2-(3-methylbut-2-enoxy)cyclohexan-1-amine
CID 102633068
N-methyl-2-prop-2-enoxycyclohexan-1-amine
CID 102633115
2-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 102633133
2-(2-bromoprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 102633222
N-methyl-2-(3-methylbut-3-enoxy)cyclohexan-1-amine
CID 102633357
N-methyl-2-(2-methylidenebutoxy)cyclohexan-1-amine
CID 102633395
N-methyl-2-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 102633436
2-but-3-en-2-yloxy-N-methylcyclohexan-1-amine
CID 102633452

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine (CID 114465645) is 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine is C=C(C)COCCNC1CCCCC1OC.
What is the InChIKey of 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
The InChIKey is HCEKCGSOQQJRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)10-16-9-8-14-12-6-4-5-7-13(12)15-3/h12-14H,1,4-10H2,2-3H3.
What are the key properties of 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine?
2-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 2-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 114465645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).