1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine

C9H20N2 — CID 123612215

IUPAC1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine
SMILESCCC(C(N)NC)C1(C)CC1
InChIInChI=1S/C9H20N2/c1-4-7(8(10)11-3)9(2)5-6-9/h7-8,11H,4-6,10H2,1-3H3
InChIKeyRHZRKKBMLNPGEO-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.32
Rot. Bonds4

About 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine

1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine (PubChem CID 123612215) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine.

Molecular Properties

Compound Name1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine
PubChem CID123612215
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine
SMILESCCC(C(N)NC)C1(C)CC1
InChIInChI=1S/C9H20N2/c1-4-7(8(10)11-3)9(2)5-6-9/h7-8,11H,4-6,10H2,1-3H3
InChIKeyRHZRKKBMLNPGEO-UHFFFAOYSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine 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 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine?
The IUPAC name of 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine (CID 123612215) is 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine.
What is the SMILES notation for 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine?
The canonical SMILES for 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine is CCC(C(N)NC)C1(C)CC1.
What is the InChIKey of 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine?
The InChIKey is RHZRKKBMLNPGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-7(8(10)11-3)9(2)5-6-9/h7-8,11H,4-6,10H2,1-3H3.
What are the key properties of 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine?
1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-2-(1-methylcyclopropyl)butane-1,1-diamine is sourced from PubChem (CID 123612215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).