ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine

C10H22N2 — CID 142002928

IUPACethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
SMILESCC.CC/C=N/C=C(\C)CCN
InChIInChI=1S/C8H16N2.C2H6/c1-3-6-10-7-8(2)4-5-9;1-2/h6-7H,3-5,9H2,1-2H3;1-2H3/b8-7+,10-6+;
InChIKeyUARURRBOPCMZKE-STJFEJDTSA-N
MW170.30 g/mol
LogP2.75
Rot. Bonds4

About ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine

ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine (PubChem CID 142002928) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine.

Molecular Properties

Compound Nameethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
PubChem CID142002928
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine
SMILESCC.CC/C=N/C=C(\C)CCN
InChIInChI=1S/C8H16N2.C2H6/c1-3-6-10-7-8(2)4-5-9;1-2/h6-7H,3-5,9H2,1-2H3;1-2H3/b8-7+,10-6+;
InChIKeyUARURRBOPCMZKE-STJFEJDTSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
The IUPAC name of ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine (CID 142002928) is ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine.
What is the SMILES notation for ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
The canonical SMILES for ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine is CC.CC/C=N/C=C(\C)CCN.
What is the InChIKey of ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
The InChIKey is UARURRBOPCMZKE-STJFEJDTSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-3-6-10-7-8(2)4-5-9;1-2/h6-7H,3-5,9H2,1-2H3;1-2H3/b8-7+,10-6+;.
What are the key properties of ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine?
ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine has a molecular weight of 170.30 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-methyl-4-(propylideneamino)but-3-en-1-amine is sourced from PubChem (CID 142002928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).