ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine

C9H20N2 — CID 163255034

IUPACethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine
SMILESC=C(/C=N\NC)C(C)C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-6(2)7(3)5-9-8-4;1-2/h5-6,8H,3H2,1-2,4H3;1-2H3/b9-5-;
InChIKeyMUMHCTQDTQZUSO-UYTGOYFPSA-N
MW156.27 g/mol
LogP2.43
Rot. Bonds3

About ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine

ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine (PubChem CID 163255034) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine.

Molecular Properties

Compound Nameethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine
PubChem CID163255034
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nameethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine
SMILESC=C(/C=N\NC)C(C)C.CC
InChIInChI=1S/C7H14N2.C2H6/c1-6(2)7(3)5-9-8-4;1-2/h5-6,8H,3H2,1-2,4H3;1-2H3/b9-5-;
InChIKeyMUMHCTQDTQZUSO-UYTGOYFPSA-N
XLogP2.43
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine 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;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine?
The IUPAC name of ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine (CID 163255034) is ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine.
What is the SMILES notation for ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine?
The canonical SMILES for ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine is C=C(/C=N\NC)C(C)C.CC.
What is the InChIKey of ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine?
The InChIKey is MUMHCTQDTQZUSO-UYTGOYFPSA-N. The full InChI is InChI=1S/C7H14N2.C2H6/c1-6(2)7(3)5-9-8-4;1-2/h5-6,8H,3H2,1-2,4H3;1-2H3/b9-5-;.
What are the key properties of ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine?
ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine has a molecular weight of 156.27 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(Z)-(3-methyl-2-methylidenebutylidene)amino]methanamine is sourced from PubChem (CID 163255034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).