(Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane

C15H29N3 — CID 145011340

IUPAC(Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane
SMILESCC.CC.CCc1ccc(N(N)/C=C(/C)N)cc1
InChIInChI=1S/C11H17N3.2C2H6/c1-3-10-4-6-11(7-5-10)14(13)8-9(2)12;2*1-2/h4-8H,3,12-13H2,1-2H3;2*1-2H3/b9-8-;;
InChIKeyVEBTUWLGYJDOQT-ULDSSAIZSA-N
MW251.42 g/mol
LogP3.80
Rot. Bonds3

About (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane

(Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane (PubChem CID 145011340) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane.

Molecular Properties

Compound Name(Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane
PubChem CID145011340
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name(Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane
SMILESCC.CC.CCc1ccc(N(N)/C=C(/C)N)cc1
InChIInChI=1S/C11H17N3.2C2H6/c1-3-10-4-6-11(7-5-10)14(13)8-9(2)12;2*1-2/h4-8H,3,12-13H2,1-2H3;2*1-2H3/b9-8-;;
InChIKeyVEBTUWLGYJDOQT-ULDSSAIZSA-N
XLogP3.80
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane?
The IUPAC name of (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane (CID 145011340) is (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane.
What is the SMILES notation for (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane?
The canonical SMILES for (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane is CC.CC.CCc1ccc(N(N)/C=C(/C)N)cc1.
What is the InChIKey of (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane?
The InChIKey is VEBTUWLGYJDOQT-ULDSSAIZSA-N. The full InChI is InChI=1S/C11H17N3.2C2H6/c1-3-10-4-6-11(7-5-10)14(13)8-9(2)12;2*1-2/h4-8H,3,12-13H2,1-2H3;2*1-2H3/b9-8-;;.
What are the key properties of (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane?
(Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane has a molecular weight of 251.42 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(N-amino-4-ethylanilino)prop-1-en-2-amine;ethane is sourced from PubChem (CID 145011340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).