(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine

C9H17NO — CID 134987819

IUPAC(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine
SMILESC=CC/C(C)=C(\OC)N(C)C
InChIInChI=1S/C9H17NO/c1-6-7-8(2)9(11-5)10(3)4/h6H,1,7H2,2-5H3/b9-8-
InChIKeySZCJIWMQFRYERU-HJWRWDBZSA-N
MW155.24 g/mol
LogP2.00
Rot. Bonds4

About (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine

(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine (PubChem CID 134987819) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine
PubChem CID134987819
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine
SMILESC=CC/C(C)=C(\OC)N(C)C
InChIInChI=1S/C9H17NO/c1-6-7-8(2)9(11-5)10(3)4/h6H,1,7H2,2-5H3/b9-8-
InChIKeySZCJIWMQFRYERU-HJWRWDBZSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine?
The IUPAC name of (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine (CID 134987819) is (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine.
What is the SMILES notation for (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine?
The canonical SMILES for (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine is C=CC/C(C)=C(\OC)N(C)C.
What is the InChIKey of (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine?
The InChIKey is SZCJIWMQFRYERU-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H17NO/c1-6-7-8(2)9(11-5)10(3)4/h6H,1,7H2,2-5H3/b9-8-.
What are the key properties of (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine?
(1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine has a molecular weight of 155.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-methoxy-N,N,2-trimethylpenta-1,4-dien-1-amine is sourced from PubChem (CID 134987819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).