(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine

C14H25NO — CID 142907359

IUPAC(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)N(C)CCOC)CCCC
InChIInChI=1S/C14H25NO/c1-6-7-8-13(2)9-10-14(3)15(4)11-12-16-5/h9-10H,2-3,6-8,11-12H2,1,4-5H3/b10-9-
InChIKeyPSGGLJJPXGZRLJ-KTKRTIGZSA-N
MW223.36 g/mol
LogP3.38
Rot. Bonds9

About (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine

(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine (PubChem CID 142907359) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine
PubChem CID142907359
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine
SMILESC=C(/C=C\C(=C)N(C)CCOC)CCCC
InChIInChI=1S/C14H25NO/c1-6-7-8-13(2)9-10-14(3)15(4)11-12-16-5/h9-10H,2-3,6-8,11-12H2,1,4-5H3/b10-9-
InChIKeyPSGGLJJPXGZRLJ-KTKRTIGZSA-N
XLogP3.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine?
The IUPAC name of (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine (CID 142907359) is (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine?
The canonical SMILES for (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine is C=C(/C=C\C(=C)N(C)CCOC)CCCC.
What is the InChIKey of (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine?
The InChIKey is PSGGLJJPXGZRLJ-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H25NO/c1-6-7-8-13(2)9-10-14(3)15(4)11-12-16-5/h9-10H,2-3,6-8,11-12H2,1,4-5H3/b10-9-.
What are the key properties of (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine?
(3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(2-methoxyethyl)-N-methyl-5-methylidenenona-1,3-dien-2-amine is sourced from PubChem (CID 142907359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).