4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine

C10H19NO — CID 103392102

IUPAC4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine
SMILESC=C(C)C=C(CCCN)COC
InChIInChI=1S/C10H19NO/c1-9(2)7-10(8-12-3)5-4-6-11/h7H,1,4-6,8,11H2,2-3H3
InChIKeyKPVHEGZNXBUQLU-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.87
Rot. Bonds6

About 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine

4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine (PubChem CID 103392102) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine
PubChem CID103392102
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine
SMILESC=C(C)C=C(CCCN)COC
InChIInChI=1S/C10H19NO/c1-9(2)7-10(8-12-3)5-4-6-11/h7H,1,4-6,8,11H2,2-3H3
InChIKeyKPVHEGZNXBUQLU-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.87
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

5-(7-Fluoro-5-methylcyclohepta-1,4,6-trien-1-yl)oxypentan-1-amine
CID 143599172
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
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 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine?
The IUPAC name of 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine (CID 103392102) is 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine.
What is the SMILES notation for 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine?
The canonical SMILES for 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine is C=C(C)C=C(CCCN)COC.
What is the InChIKey of 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine?
The InChIKey is KPVHEGZNXBUQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)7-10(8-12-3)5-4-6-11/h7H,1,4-6,8,11H2,2-3H3.
What are the key properties of 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine?
4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methylhepta-4,6-dien-1-amine is sourced from PubChem (CID 103392102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).