N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane

C8H18N2 — CID 171506376

IUPACN-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane
SMILESC=C(C)/C=N\NC.CCC
InChIInChI=1S/C5H10N2.C3H8/c1-5(2)4-7-6-3;1-3-2/h4,6H,1H2,2-3H3;3H2,1-2H3/b7-4-;
InChIKeyMBOYQSGEHPIPLX-ZULQGGHCSA-N
MW142.25 g/mol
LogP2.18
Rot. Bonds2

About N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane

N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane (PubChem CID 171506376) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane.

Molecular Properties

Compound NameN-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane
PubChem CID171506376
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane
SMILESC=C(C)/C=N\NC.CCC
InChIInChI=1S/C5H10N2.C3H8/c1-5(2)4-7-6-3;1-3-2/h4,6H,1H2,2-3H3;3H2,1-2H3/b7-4-;
InChIKeyMBOYQSGEHPIPLX-ZULQGGHCSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.18
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 N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane 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 N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane?
The IUPAC name of N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane (CID 171506376) is N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane.
What is the SMILES notation for N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane?
The canonical SMILES for N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane is C=C(C)/C=N\NC.CCC.
What is the InChIKey of N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane?
The InChIKey is MBOYQSGEHPIPLX-ZULQGGHCSA-N. The full InChI is InChI=1S/C5H10N2.C3H8/c1-5(2)4-7-6-3;1-3-2/h4,6H,1H2,2-3H3;3H2,1-2H3/b7-4-;.
What are the key properties of N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane?
N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane has a molecular weight of 142.25 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylprop-2-enylideneamino]methanamine;propane is sourced from PubChem (CID 171506376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).