(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine

C12H21NO — CID 135276508

IUPAC(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
SMILESC=C(/C=C\C)CN(CCOC)C(=C)C
InChIInChI=1S/C12H21NO/c1-6-7-12(4)10-13(11(2)3)8-9-14-5/h6-7H,2,4,8-10H2,1,3,5H3/b7-6-
InChIKeyDNHBIOKOHPXRDD-SREVYHEPSA-N
MW195.31 g/mol
LogP2.60
Rot. Bonds7

About (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine

(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine (PubChem CID 135276508) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
PubChem CID135276508
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine
SMILESC=C(/C=C\C)CN(CCOC)C(=C)C
InChIInChI=1S/C12H21NO/c1-6-7-12(4)10-13(11(2)3)8-9-14-5/h6-7H,2,4,8-10H2,1,3,5H3/b7-6-
InChIKeyDNHBIOKOHPXRDD-SREVYHEPSA-N
XLogP2.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.60
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 (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine?
The IUPAC name of (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine (CID 135276508) is (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine.
What is the SMILES notation for (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine?
The canonical SMILES for (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine is C=C(/C=C\C)CN(CCOC)C(=C)C.
What is the InChIKey of (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine?
The InChIKey is DNHBIOKOHPXRDD-SREVYHEPSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-7-12(4)10-13(11(2)3)8-9-14-5/h6-7H,2,4,8-10H2,1,3,5H3/b7-6-.
What are the key properties of (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine?
(Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-methoxyethyl)-2-methylidene-N-prop-1-en-2-ylpent-3-en-1-amine is sourced from PubChem (CID 135276508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).