N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane

C10H20N2O — CID 143333835

IUPACN-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane
SMILESC=C(/C=C\C)N(C=O)CCN.CC
InChIInChI=1S/C8H14N2O.C2H6/c1-3-4-8(2)10(7-11)6-5-9;1-2/h3-4,7H,2,5-6,9H2,1H3;1-2H3/b4-3-;
InChIKeySJSZTPAICQCZFU-LNKPDPKZSA-N
MW184.28 g/mol
LogP1.52
Rot. Bonds5

About N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane

N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane (PubChem CID 143333835) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane
PubChem CID143333835
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane
SMILESC=C(/C=C\C)N(C=O)CCN.CC
InChIInChI=1S/C8H14N2O.C2H6/c1-3-4-8(2)10(7-11)6-5-9;1-2/h3-4,7H,2,5-6,9H2,1H3;1-2H3/b4-3-;
InChIKeySJSZTPAICQCZFU-LNKPDPKZSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane?
The IUPAC name of N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane (CID 143333835) is N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane.
What is the SMILES notation for N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane?
The canonical SMILES for N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane is C=C(/C=C\C)N(C=O)CCN.CC.
What is the InChIKey of N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane?
The InChIKey is SJSZTPAICQCZFU-LNKPDPKZSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c1-3-4-8(2)10(7-11)6-5-9;1-2/h3-4,7H,2,5-6,9H2,1H3;1-2H3/b4-3-;.
What are the key properties of N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane?
N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane has a molecular weight of 184.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(3Z)-penta-1,3-dien-2-yl]formamide;ethane is sourced from PubChem (CID 143333835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).