(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine

C9H17NO — CID 145234596

IUPAC(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
SMILESCC/C(C)=C(N)/C=C(\C)OC
InChIInChI=1S/C9H17NO/c1-5-7(2)9(10)6-8(3)11-4/h6H,5,10H2,1-4H3/b8-6+,9-7-
InChIKeyFTBDUVHOFIGQDN-FFELTBSMSA-N
MW155.24 g/mol
LogP2.18
Rot. Bonds3

About (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine

(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine (PubChem CID 145234596) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
PubChem CID145234596
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine
SMILESCC/C(C)=C(N)/C=C(\C)OC
InChIInChI=1S/C9H17NO/c1-5-7(2)9(10)6-8(3)11-4/h6H,5,10H2,1-4H3/b8-6+,9-7-
InChIKeyFTBDUVHOFIGQDN-FFELTBSMSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.18
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

(3E,6E)-4-fluoro-6-methoxynona-1,3,6-trien-2-amine
CID 138711458
6-Fluoro-4-methoxy-2-methylcyclohepta-1,3,6-trien-1-amine
CID 138711459
(3Z,5E)-3-methoxy-7,7-dimethylocta-1,3,5-trien-4-amine
CID 88960998
(3E,5Z,7E)-5-methoxy-6,7-dimethylnona-3,5,7-trien-3-amine
CID 89240453
(E)-1-cyclopropylidene-2-methyl-3-(2-methylprop-1-enoxy)prop-2-en-1-amine
CID 130390014
(2Z,4Z)-2-methoxy-5,6-dimethylhepta-2,4,6-trien-3-amine
CID 134176903
(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
CID 134468970
(2Z,4Z)-N-(dimethylaminosulfanyl)-2-methoxy-5-methylhepta-2,4-dien-3-amine
CID 135295396
(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
CID 137484755
5-Ethyl-4-methoxycyclohepta-1,4,6-trien-1-amine
CID 138711950
(3E)-4-methoxyhexa-1,3-dien-2-amine
CID 139378141
4-Methoxycyclohepta-1,3,6-trien-1-amine
CID 142264180

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine?
The IUPAC name of (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine (CID 145234596) is (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine?
The canonical SMILES for (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine is CC/C(C)=C(N)/C=C(\C)OC.
What is the InChIKey of (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine?
The InChIKey is FTBDUVHOFIGQDN-FFELTBSMSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-7(2)9(10)6-8(3)11-4/h6H,5,10H2,1-4H3/b8-6+,9-7-.
What are the key properties of (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine?
(2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine has a molecular weight of 155.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-methoxy-5-methylhepta-2,4-dien-4-amine is sourced from PubChem (CID 145234596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).