(2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine

C9H15NO — CID 143299717

IUPAC(2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine
SMILESC=C(/C=C\C(=C)[C@@H](C)N)OC
InChIInChI=1S/C9H15NO/c1-7(9(3)10)5-6-8(2)11-4/h5-6,9H,1-2,10H2,3-4H3/b6-5-/t9-/m1/s1
InChIKeyKLCIMRUXPFXCRU-SSJHQANKSA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds4

About (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine

(2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine (PubChem CID 143299717) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine.

Molecular Properties

Compound Name(2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine
PubChem CID143299717
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine
SMILESC=C(/C=C\C(=C)[C@@H](C)N)OC
InChIInChI=1S/C9H15NO/c1-7(9(3)10)5-6-8(2)11-4/h5-6,9H,1-2,10H2,3-4H3/b6-5-/t9-/m1/s1
InChIKeyKLCIMRUXPFXCRU-SSJHQANKSA-N
XLogP1.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
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

6-Fluoro-4-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 68421839
(3E)-5-(2,2-difluoropropoxy)-3-(2-methylprop-1-enyl)hepta-3,5,6-trien-2-amine
CID 124095375
(1S)-2,2,2-trifluoro-1-(5-methoxycyclohepta-1,4,6-trien-1-yl)ethanamine
CID 143771145
(3E,5Z)-3-methyl-7-(trifluoromethoxy)octa-3,5,7-trien-2-amine
CID 162578637
(3Z)-1,1,1-trifluoro-3-(1-methoxyethenyl)hexa-3,5-dien-2-amine
CID 168899188
4-Methoxycyclohexa-2,4-dien-1-amine
CID 15267074
6-Chloro-3-methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 19882831
1-(2H-pyran-4-yl)ethanamine
CID 23344134
1-(3,4-dihydro-2H-oxepin-7-ylidene)butan-2-amine
CID 57009658
6-Methoxy-6-methylcyclohexa-2,4-dien-1-amine
CID 67028805
4-Ethoxycyclohexa-2,4-dien-1-amine
CID 67819232
4-(Aminomethyl)-1-methoxycyclohexa-2,4-dien-1-amine
CID 68141450

Frequently Asked Questions

What is the IUPAC name of (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine?
The IUPAC name of (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine (CID 143299717) is (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine.
What is the SMILES notation for (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine?
The canonical SMILES for (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine is C=C(/C=C\C(=C)[C@@H](C)N)OC.
What is the InChIKey of (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine?
The InChIKey is KLCIMRUXPFXCRU-SSJHQANKSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(9(3)10)5-6-8(2)11-4/h5-6,9H,1-2,10H2,3-4H3/b6-5-/t9-/m1/s1.
What are the key properties of (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine?
(2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine has a molecular weight of 153.22 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4Z)-6-methoxy-3-methylidenehepta-4,6-dien-2-amine is sourced from PubChem (CID 143299717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).