3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine

C9H17NO — CID 123395406

IUPAC3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
SMILESC=C(C)C(CNC)=C(C)OC
InChIInChI=1S/C9H17NO/c1-7(2)9(6-10-4)8(3)11-5/h10H,1,6H2,2-5H3
InChIKeyQOHCKJZHHSXXHU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds4

About 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine

3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine (PubChem CID 123395406) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
PubChem CID123395406
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine
SMILESC=C(C)C(CNC)=C(C)OC
InChIInChI=1S/C9H17NO/c1-7(2)9(6-10-4)8(3)11-5/h10H,1,6H2,2-5H3
InChIKeyQOHCKJZHHSXXHU-UHFFFAOYSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
2-(1-methoxyethylidene)-N,3,4-trimethylhex-3-en-1-amine
CID 123278546
4-[3-(Methylamino)propoxy]-2-methylidenepent-3-en-1-amine
CID 123647646
5-Methoxy-2-methylhepta-2,4-dien-1-amine
CID 123747558
(2Z,4E)-5-methoxy-N,2-dimethylhexa-2,4-dien-1-amine
CID 134406077
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
(2E,3E)-2-ethylidene-4-methoxy-N-methylhexa-3,5-dien-1-amine
CID 142152851
2-(4-methoxycyclohepta-1,3,6-trien-1-yl)-N-methylethanamine
CID 142206940
ethane;(2E)-N-[(2-methylpropan-2-yl)oxymethyl]-2-prop-1-en-2-ylpenta-2,4-dien-1-amine
CID 143576267
(2E,4E)-2-ethyl-5-methoxyhexa-2,4-dien-1-amine
CID 144268974
2-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylethanamine
CID 144387401
ethane;ethene;1-(2-methoxycyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 144547153

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine?
The IUPAC name of 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine (CID 123395406) is 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine.
What is the SMILES notation for 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine?
The canonical SMILES for 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine is C=C(C)C(CNC)=C(C)OC.
What is the InChIKey of 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine?
The InChIKey is QOHCKJZHHSXXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)9(6-10-4)8(3)11-5/h10H,1,6H2,2-5H3.
What are the key properties of 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine?
3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-2-prop-1-en-2-ylbut-2-en-1-amine is sourced from PubChem (CID 123395406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).