N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine

C12H23NO — CID 79607141

IUPACN-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine
SMILESCOCCNCCC=C(C)C=C(C)C
InChIInChI=1S/C12H23NO/c1-11(2)10-12(3)6-5-7-13-8-9-14-4/h6,10,13H,5,7-9H2,1-4H3
InChIKeyHMGOJEPNSUCYCO-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.53
Rot. Bonds7

About N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine

N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine (PubChem CID 79607141) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine
PubChem CID79607141
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine
SMILESCOCCNCCC=C(C)C=C(C)C
InChIInChI=1S/C12H23NO/c1-11(2)10-12(3)6-5-7-13-8-9-14-4/h6,10,13H,5,7-9H2,1-4H3
InChIKeyHMGOJEPNSUCYCO-UHFFFAOYSA-N
XLogP2.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine?
The IUPAC name of N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine (CID 79607141) is N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine is COCCNCCC=C(C)C=C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine?
The InChIKey is HMGOJEPNSUCYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-11(2)10-12(3)6-5-7-13-8-9-14-4/h6,10,13H,5,7-9H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine?
N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4,6-dimethylhepta-3,5-dien-1-amine is sourced from PubChem (CID 79607141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).