N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine

C11H23NO — CID 103074382

IUPACN-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCC(C)C
InChIInChI=1S/C11H23NO/c1-5-12-8-11(4)9-13-7-6-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyCNYUOTWKFKSOTO-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.21
Rot. Bonds8

About N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine

N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine (PubChem CID 103074382) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
PubChem CID103074382
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCCC(C)C
InChIInChI=1S/C11H23NO/c1-5-12-8-11(4)9-13-7-6-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyCNYUOTWKFKSOTO-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
2-(2,2-difluoroethoxymethyl)-N-propylprop-2-en-1-amine
CID 103075031
N-ethyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075039
N-propyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075045
N-ethyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075053
N-propyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075059
2-methyl-N-(oxolan-3-ylmethyl)prop-2-en-1-amine
CID 62331521
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-2-(prop-2-enoxymethyl)butan-1-amine
CID 158326199
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
2-(buta-2,3-dienoxymethyl)-N-ethylbutan-1-amine
CID 163416832

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine (CID 103074382) is N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCCC(C)C.
What is the InChIKey of N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
The InChIKey is CNYUOTWKFKSOTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-12-8-11(4)9-13-7-6-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).