(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine

C9H17NO — CID 129171754

IUPAC(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine
SMILESC=C/C(=C/C(C)(N)CC)OC
InChIInChI=1S/C9H17NO/c1-5-8(11-4)7-9(3,10)6-2/h5,7H,1,6,10H2,2-4H3/b8-7-
InChIKeyZYXHOIWTRXCKTK-FPLPWBNLSA-N
MW155.24 g/mol
LogP1.83
Rot. Bonds4

About (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine

(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine (PubChem CID 129171754) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine.

Molecular Properties

Compound Name(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine
PubChem CID129171754
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine
SMILESC=C/C(=C/C(C)(N)CC)OC
InChIInChI=1S/C9H17NO/c1-5-8(11-4)7-9(3,10)6-2/h5,7H,1,6,10H2,2-4H3/b8-7-
InChIKeyZYXHOIWTRXCKTK-FPLPWBNLSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.83
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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Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine?
The IUPAC name of (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine (CID 129171754) is (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine.
What is the SMILES notation for (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine?
The canonical SMILES for (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine is C=C/C(=C/C(C)(N)CC)OC.
What is the InChIKey of (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine?
The InChIKey is ZYXHOIWTRXCKTK-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H17NO/c1-5-8(11-4)7-9(3,10)6-2/h5,7H,1,6,10H2,2-4H3/b8-7-.
What are the key properties of (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine?
(4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methoxy-3-methylhepta-4,6-dien-3-amine is sourced from PubChem (CID 129171754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).