N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine

C10H18N2 — CID 137383028

IUPACN-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine
SMILESC=NC/C(=C\NC1CC1)C(C)C
InChIInChI=1S/C10H18N2/c1-8(2)9(6-11-3)7-12-10-4-5-10/h7-8,10,12H,3-6H2,1-2H3/b9-7+
InChIKeyUXCZEYWDLNODKC-VQHVLOKHSA-N
MW166.27 g/mol
LogP1.98
Rot. Bonds5

About N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine

N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine (PubChem CID 137383028) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine
PubChem CID137383028
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine
SMILESC=NC/C(=C\NC1CC1)C(C)C
InChIInChI=1S/C10H18N2/c1-8(2)9(6-11-3)7-12-10-4-5-10/h7-8,10,12H,3-6H2,1-2H3/b9-7+
InChIKeyUXCZEYWDLNODKC-VQHVLOKHSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine 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)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine?
The IUPAC name of N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine (CID 137383028) is N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine.
What is the SMILES notation for N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine?
The canonical SMILES for N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine is C=NC/C(=C\NC1CC1)C(C)C.
What is the InChIKey of N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine?
The InChIKey is UXCZEYWDLNODKC-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)9(6-11-3)7-12-10-4-5-10/h7-8,10,12H,3-6H2,1-2H3/b9-7+.
What are the key properties of N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine?
N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine has a molecular weight of 166.27 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-methyl-2-[(methylideneamino)methyl]but-1-enyl]cyclopropanamine is sourced from PubChem (CID 137383028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).