(4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine

C9H17NO — CID 103392230

IUPAC(4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\CCCN)COC
InChIInChI=1S/C9H17NO/c1-3-5-9(8-11-2)6-4-7-10/h3,5H,1,4,6-8,10H2,2H3/b9-5+
InChIKeyUERPICWYHYBTRP-WEVVVXLNSA-N
MW155.24 g/mol
LogP1.48
Rot. Bonds6

About (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine

(4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine (PubChem CID 103392230) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine
PubChem CID103392230
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine
SMILESC=C/C=C(\CCCN)COC
InChIInChI=1S/C9H17NO/c1-3-5-9(8-11-2)6-4-7-10/h3,5H,1,4,6-8,10H2,2H3/b9-5+
InChIKeyUERPICWYHYBTRP-WEVVVXLNSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8,8,8-Trifluoro-4-(methoxymethyl)oct-4-en-1-amine
CID 103392090
7,7,7-Trifluoro-4-(methoxymethyl)hept-4-en-1-amine
CID 103392123
3-(1,3-Dihydrocyclopenta[c]pyran-4-yl)propan-1-amine
CID 67558971
3-Ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
CID 90685559
3-Ethylidene-6-methoxy-4-methylhepta-4,6-dien-1-amine
CID 124008979
2-[(5Z,6Z)-5-ethylidene-6-(2-methoxyethylidene)cyclohexa-1,3-dien-1-yl]ethanamine
CID 138526704
(3Z,4Z,6Z)-3-ethylidene-8-methoxynona-4,6-dien-1-amine
CID 141943905
6-[(3Z)-5-methyl-2-methylidenehexa-3,5-dienoxy]hexan-1-amine
CID 142407880
(Z,3E)-7-methoxy-3-prop-2-enylidenehept-5-en-2-amine
CID 143427083
(3Z,4E)-3-ethylidene-5-methoxy-4-methylhepta-4,6-dien-1-amine
CID 144586172
6-(Cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
CID 145311471
(5E,7Z)-9-methoxynona-5,7-dien-1-amine
CID 146590153

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine?
The IUPAC name of (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine (CID 103392230) is (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine.
What is the SMILES notation for (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine?
The canonical SMILES for (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine is C=C/C=C(\CCCN)COC.
What is the InChIKey of (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine?
The InChIKey is UERPICWYHYBTRP-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-5-9(8-11-2)6-4-7-10/h3,5H,1,4,6-8,10H2,2H3/b9-5+.
What are the key properties of (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine?
(4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(methoxymethyl)hepta-4,6-dien-1-amine is sourced from PubChem (CID 103392230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).