1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine

C13H28N4 — CID 110029728

IUPAC1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine
SMILESCC(C)CC(C/N=C(\N)N(C)C1CC1)N(C)C
InChIInChI=1S/C13H28N4/c1-10(2)8-12(16(3)4)9-15-13(14)17(5)11-6-7-11/h10-12H,6-9H2,1-5H3,(H2,14,15)
InChIKeySOSJGXQPCUTOMO-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.37
Rot. Bonds6

About 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine

1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine (PubChem CID 110029728) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine
PubChem CID110029728
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Name1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine
SMILESCC(C)CC(C/N=C(\N)N(C)C1CC1)N(C)C
InChIInChI=1S/C13H28N4/c1-10(2)8-12(16(3)4)9-15-13(14)17(5)11-6-7-11/h10-12H,6-9H2,1-5H3,(H2,14,15)
InChIKeySOSJGXQPCUTOMO-UHFFFAOYSA-N
XLogP1.37
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-1-methyl-2-(4-methyl-2-pyrrolidin-1-ylpentyl)guanidine;hydroiodide
CID 86788006
1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
CID 110029751
1-cyclopropyl-1-methyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110030013
1-cyclopropyl-2-(2-ethylhexyl)-1-methylguanidine
CID 110029374
N'-[2-(dimethylamino)-4-methylpentyl]thiomorpholine-4-carboximidamide;hydroiodide
CID 111041798
1-cyclopropyl-1-methyl-2-(2-pyrrolidin-1-ylbutyl)guanidine;hydroiodide
CID 110030010
2-[2-(dimethylamino)-4-methylpentyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111041738
2-(cyclooctylmethyl)-1-cyclopropyl-1-methylguanidine
CID 110030438
1-cyclopropyl-2-(2-hydroxy-3-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110030946
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]-1-methylguanidine;hydroiodide
CID 110031536
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
1-cyclopropyl-2-[2-hydroxy-2-(3-methylphenyl)ethyl]-1-methylguanidine
CID 110031689

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine?
The IUPAC name of 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine (CID 110029728) is 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine.
What is the SMILES notation for 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine?
The canonical SMILES for 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine is CC(C)CC(C/N=C(\N)N(C)C1CC1)N(C)C.
What is the InChIKey of 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine?
The InChIKey is SOSJGXQPCUTOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4/c1-10(2)8-12(16(3)4)9-15-13(14)17(5)11-6-7-11/h10-12H,6-9H2,1-5H3,(H2,14,15).
What are the key properties of 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine?
1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine has a molecular weight of 240.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(dimethylamino)-4-methylpentyl]-1-methylguanidine is sourced from PubChem (CID 110029728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).