(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine

C12H23NO — CID 135181456

IUPAC(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\N(C)C(C)OC)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-8-9-11(12(3,4)5)13(6)10(2)14-7/h8-10H,1H2,2-7H3/b11-9-
InChIKeyOWWFTYXXYPVXPF-LUAWRHEFSA-N
MW197.32 g/mol
LogP3.03
Rot. Bonds4

About (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine

(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine (PubChem CID 135181456) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine.

Molecular Properties

Compound Name(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine
PubChem CID135181456
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine
SMILESC=C/C=C(\N(C)C(C)OC)C(C)(C)C
InChIInChI=1S/C12H23NO/c1-8-9-11(12(3,4)5)13(6)10(2)14-7/h8-10H,1H2,2-7H3/b11-9-
InChIKeyOWWFTYXXYPVXPF-LUAWRHEFSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine?
The IUPAC name of (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine (CID 135181456) is (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine.
What is the SMILES notation for (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine?
The canonical SMILES for (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine is C=C/C=C(\N(C)C(C)OC)C(C)(C)C.
What is the InChIKey of (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine?
The InChIKey is OWWFTYXXYPVXPF-LUAWRHEFSA-N. The full InChI is InChI=1S/C12H23NO/c1-8-9-11(12(3,4)5)13(6)10(2)14-7/h8-10H,1H2,2-7H3/b11-9-.
What are the key properties of (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine?
(3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine has a molecular weight of 197.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(1-methoxyethyl)-N,2,2-trimethylhexa-3,5-dien-3-amine is sourced from PubChem (CID 135181456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).