N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine

C14H29NO — CID 103074533

IUPACN-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC(CC)CCCC
InChIInChI=1S/C14H29NO/c1-5-8-9-14(6-2)12-16-11-13(4)10-15-7-3/h14-15H,4-12H2,1-3H3
InChIKeyBALRBRMWJKWXEK-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.39
Rot. Bonds11

About N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine

N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine (PubChem CID 103074533) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
PubChem CID103074533
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC(CC)CCCC
InChIInChI=1S/C14H29NO/c1-5-8-9-14(6-2)12-16-11-13(4)10-15-7-3/h14-15H,4-12H2,1-3H3
InChIKeyBALRBRMWJKWXEK-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-Methylprop-2-enoxy)-3-propylpiperidine
CID 156206985
3-(2-Methylprop-2-enoxymethyl)azepane
CID 84050654
3-[2-(2-Methylprop-2-enoxy)ethyl]azepane
CID 84051756
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
2-(3-methylbutoxymethyl)-N-propylprop-2-en-1-amine
CID 103074386
N-ethyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074395
N-[2-[(4-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074396
2-[(4-methylcyclohexyl)oxymethyl]-N-propan-2-ylprop-2-en-1-amine
CID 103074397
N-tert-butyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074398
2-[(4-methylcyclohexyl)oxymethyl]-N-propylprop-2-en-1-amine
CID 103074399
N-methyl-2-[(4-methylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074401
N-ethyl-2-[(2-ethylcyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074402

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine (CID 103074533) is N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCC(CC)CCCC.
What is the InChIKey of N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
The InChIKey is BALRBRMWJKWXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-9-14(6-2)12-16-11-13(4)10-15-7-3/h14-15H,4-12H2,1-3H3.
What are the key properties of N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-ethylhexoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).