(Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine

C12H21NO — CID 121388611

IUPAC(Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine
SMILESC=C(/C=C\C)CN(CC)CC1COC1
InChIInChI=1S/C12H21NO/c1-4-6-11(3)7-13(5-2)8-12-9-14-10-12/h4,6,12H,3,5,7-10H2,1-2H3/b6-4-
InChIKeyNDMPXFFMBGHCGZ-XQRVVYSFSA-N
MW195.31 g/mol
LogP2.09
Rot. Bonds6

About (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine

(Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine (PubChem CID 121388611) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine
PubChem CID121388611
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine
SMILESC=C(/C=C\C)CN(CC)CC1COC1
InChIInChI=1S/C12H21NO/c1-4-6-11(3)7-13(5-2)8-12-9-14-10-12/h4,6,12H,3,5,7-10H2,1-2H3/b6-4-
InChIKeyNDMPXFFMBGHCGZ-XQRVVYSFSA-N
XLogP2.09
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.09
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-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine?
The IUPAC name of (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine (CID 121388611) is (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine is C=C(/C=C\C)CN(CC)CC1COC1.
What is the InChIKey of (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine?
The InChIKey is NDMPXFFMBGHCGZ-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-6-11(3)7-13(5-2)8-12-9-14-10-12/h4,6,12H,3,5,7-10H2,1-2H3/b6-4-.
What are the key properties of (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine?
(Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-2-methylidene-N-(oxetan-3-ylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 121388611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).