N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine

C12H21NO — CID 123792144

IUPACN-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
SMILESC=C(C=C(C)OC)C=C(C)N(C)CC
InChIInChI=1S/C12H21NO/c1-7-13(5)11(3)8-10(2)9-12(4)14-6/h8-9H,2,7H2,1,3-6H3
InChIKeyJMTRUZMWDZQGBF-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds5

About N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine

N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine (PubChem CID 123792144) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
PubChem CID123792144
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine
SMILESC=C(C=C(C)OC)C=C(C)N(C)CC
InChIInChI=1S/C12H21NO/c1-7-13(5)11(3)8-10(2)9-12(4)14-6/h8-9H,2,7H2,1,3-6H3
InChIKeyJMTRUZMWDZQGBF-UHFFFAOYSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.95
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

2-Diethyl-amino-3-[(2-methyl)prop-1-en-1-yl]-6-methyl-4h-pyran
CID 13815686
6-methoxy-N,N,4-trimethylhepta-2,4,6-trien-2-amine
CID 123158046
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
N-(1-methoxyethenyl)-N,2-dimethylhepta-1,3,5-trien-3-amine
CID 123581075
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
(Z)-3-methoxy-N,4-dimethyl-N-prop-1-en-2-ylpent-2-en-2-amine
CID 126584294
ethane;(2Z,4Z)-N-ethyl-2-methoxy-N,5-dimethylhepta-2,4-dien-3-amine
CID 143262741
N-[(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-yl]-N-[(Z)-prop-1-enyl]cyclopropanamine
CID 143406798
ethane;(3E)-N-ethyl-N,5-dimethyl-4-propoxyhexa-1,3,5-trien-2-amine
CID 145316989
6-ethenyl-3-[(3E)-hexa-1,3,5-trien-3-yl]-5-[(Z)-prop-1-enyl]-2,4-dihydro-1,3-oxazine
CID 156376838
ethane;(2E,4Z)-N-(2-methoxyethyl)-N,5-dimethylhepta-2,4-dien-2-amine
CID 156750960
(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
CID 163661840

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine?
The IUPAC name of N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine (CID 123792144) is N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine.
What is the SMILES notation for N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine?
The canonical SMILES for N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine is C=C(C=C(C)OC)C=C(C)N(C)CC.
What is the InChIKey of N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine?
The InChIKey is JMTRUZMWDZQGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-7-13(5)11(3)8-10(2)9-12(4)14-6/h8-9H,2,7H2,1,3-6H3.
What are the key properties of N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine?
N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine has a molecular weight of 195.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-N-methyl-4-methylidenehepta-2,5-dien-2-amine is sourced from PubChem (CID 123792144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).