N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine

C14H25NO — CID 103074572

IUPACN-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine
SMILESC=C(CNCC)COCC1CC=CCC1C
InChIInChI=1S/C14H25NO/c1-4-15-9-12(2)10-16-11-14-8-6-5-7-13(14)3/h5-6,13-15H,2,4,7-11H2,1,3H3
InChIKeyFEPJADYEYGWVTE-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds7

About N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine

N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine (PubChem CID 103074572) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine
PubChem CID103074572
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine
SMILESC=C(CNCC)COCC1CC=CCC1C
InChIInChI=1S/C14H25NO/c1-4-15-9-12(2)10-16-11-14-8-6-5-7-13(14)3/h5-6,13-15H,2,4,7-11H2,1,3H3
InChIKeyFEPJADYEYGWVTE-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine (CID 103074572) is N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine is C=C(CNCC)COCC1CC=CCC1C.
What is the InChIKey of N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine?
The InChIKey is FEPJADYEYGWVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-4-15-9-12(2)10-16-11-14-8-6-5-7-13(14)3/h5-6,13-15H,2,4,7-11H2,1,3H3.
What are the key properties of N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine?
N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]prop-2-en-1-amine is sourced from PubChem (CID 103074572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).