(4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine

C10H17NO — CID 142872854

IUPAC(4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C)OC)CCNC
InChIInChI=1S/C10H17NO/c1-9(7-8-11-3)5-6-10(2)12-4/h5-6,11H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyKGTCQLIIMIMBIN-WAYWQWQTSA-N
MW167.25 g/mol
LogP1.87
Rot. Bonds6

About (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine

(4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine (PubChem CID 142872854) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine
PubChem CID142872854
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C)OC)CCNC
InChIInChI=1S/C10H17NO/c1-9(7-8-11-3)5-6-10(2)12-4/h5-6,11H,1-2,7-8H2,3-4H3/b6-5-
InChIKeyKGTCQLIIMIMBIN-WAYWQWQTSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
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

N-[(4-methoxy-1-methylcyclohexa-2,4-dien-1-yl)methyl]propan-2-amine
CID 67926730
1-(3-methoxy-1-methylcyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 68046425
3-cyclohexa-1,5-dien-1-yl-3-methoxy-N-methylpropan-1-amine
CID 68082938
1-N'-[(3E)-5-methoxy-3-methylhexa-3,5-dienyl]ethene-1,1-diamine
CID 87171909
(Z,2E)-5-methoxy-2-(2-methoxypropylidene)-N-methylhex-3-en-1-amine
CID 88274869
(3Z,5E)-5-methoxy-N-methyl-2-methylidenehepta-3,5-dien-1-amine
CID 88576747
(4Z,5Z)-4-ethylidene-7-methoxyocta-5,7-dien-2-amine
CID 88585562
1-(3-methoxycyclohexa-2,4-dien-1-yl)-N-methylmethanamine
CID 88997268
(Z,2E)-2-ethylidene-5-methoxy-N-methylhex-3-en-1-amine
CID 89090915
(3Z,5E)-5-methoxy-N,4-dimethylocta-3,5,7-trien-1-amine
CID 89363688
(4Z,6E)-6-methoxy-N-methylocta-4,6-dien-1-amine
CID 90444789
3-Ethenyl-5-(methoxymethyl)hepta-3,5-dien-1-amine
CID 90685559

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
The IUPAC name of (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine (CID 142872854) is (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine.
What is the SMILES notation for (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
The canonical SMILES for (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine is C=C(/C=C\C(=C)OC)CCNC.
What is the InChIKey of (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
The InChIKey is KGTCQLIIMIMBIN-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(7-8-11-3)5-6-10(2)12-4/h5-6,11H,1-2,7-8H2,3-4H3/b6-5-.
What are the key properties of (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine?
(4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine has a molecular weight of 167.25 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 (4Z)-6-methoxy-N-methyl-3-methylidenehepta-4,6-dien-1-amine is sourced from PubChem (CID 142872854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).