N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine

C12H19NO — CID 123581075

IUPACN-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
SMILESC=C(C)C(=CC=CC)N(C)C(=C)OC
InChIInChI=1S/C12H19NO/c1-7-8-9-12(10(2)3)13(5)11(4)14-6/h7-9H,2,4H2,1,3,5-6H3
InChIKeyFIFIUIFTPGJXJJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP3.07
Rot. Bonds5

About N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine

N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine (PubChem CID 123581075) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine.

Molecular Properties

Compound NameN-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
PubChem CID123581075
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
SMILESC=C(C)C(=CC=CC)N(C)C(=C)OC
InChIInChI=1S/C12H19NO/c1-7-8-9-12(10(2)3)13(5)11(4)14-6/h7-9H,2,4H2,1,3,5-6H3
InChIKeyFIFIUIFTPGJXJJ-UHFFFAOYSA-N
XLogP3.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
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

4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 123792144
(4Z)-N,N,6,7-tetramethyl-3-methylideneocta-1,4,6-trien-2-amine
CID 130392632
(3Z,5Z)-N,N,3-trimethylocta-1,3,5-trien-2-amine
CID 132073594
(3E)-N,N-dimethyl-3-[(Z)-prop-1-enyl]hexa-1,3,5-trien-2-amine
CID 134569652
(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine
CID 135181456
(3Z,6Z,8Z)-N,N-dimethyl-5-methylidenedeca-1,3,6,8-tetraen-4-amine
CID 135243145
(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
CID 135276508
(3E,4Z)-3-ethylidene-N,N-dimethylhexa-1,4-dien-2-amine
CID 138716209
(3Z)-1-methoxy-N,N-dimethylhexa-3,5-dien-3-amine
CID 142050801
(3E,5Z)-N,N,5-trimethylhepta-1,3,5-trien-4-amine
CID 143162866
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine?
The IUPAC name of N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine (CID 123581075) is N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine.
What is the SMILES notation for N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine?
The canonical SMILES for N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine is C=C(C)C(=CC=CC)N(C)C(=C)OC.
What is the InChIKey of N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine?
The InChIKey is FIFIUIFTPGJXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-7-8-9-12(10(2)3)13(5)11(4)14-6/h7-9H,2,4H2,1,3,5-6H3.
What are the key properties of N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine?
N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine has a molecular weight of 193.29 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine is sourced from PubChem (CID 123581075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).