2-hexyl-1-(2-propylcyclopropyl)guanidine

C13H27N3 — CID 111822819

IUPAC2-hexyl-1-(2-propylcyclopropyl)guanidine
SMILESCCCCCC/N=C(\N)NC1CC1CCC
InChIInChI=1S/C13H27N3/c1-3-5-6-7-9-15-13(14)16-12-10-11(12)8-4-2/h11-12H,3-10H2,1-2H3,(H3,14,15,16)
InChIKeyPRCOHOZVGCGBBL-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.66
Rot. Bonds8

About 2-hexyl-1-(2-propylcyclopropyl)guanidine

2-hexyl-1-(2-propylcyclopropyl)guanidine (PubChem CID 111822819) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-hexyl-1-(2-propylcyclopropyl)guanidine.

Molecular Properties

Compound Name2-hexyl-1-(2-propylcyclopropyl)guanidine
PubChem CID111822819
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-hexyl-1-(2-propylcyclopropyl)guanidine
SMILESCCCCCC/N=C(\N)NC1CC1CCC
InChIInChI=1S/C13H27N3/c1-3-5-6-7-9-15-13(14)16-12-10-11(12)8-4-2/h11-12H,3-10H2,1-2H3,(H3,14,15,16)
InChIKeyPRCOHOZVGCGBBL-UHFFFAOYSA-N
XLogP2.66
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-hexyl-1-(2-propylcyclopropyl)guanidine 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-cyclohexyl-2-octylguanidine
CID 113337391
1-[N'-[8-[[amino-[(N'-hexylcarbamimidoyl)amino]methylidene]amino]octyl]carbamimidoyl]-2-hexylguanidine
CID 90672033
1-[N'-[4-[[amino-[(N'-nonylcarbamimidoyl)amino]methylidene]amino]butyl]carbamimidoyl]-2-nonylguanidine
CID 90672025
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111822778
2-(oxolan-2-ylmethyl)-1-(2-propylcyclopropyl)guanidine;hydroiodide
CID 111478634
1-ethyl-2-nonylguanidine
CID 111034740
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
2-nonyl-1-propan-2-ylguanidine
CID 111034727
(N'-hexylcarbamimidoyl)urea
CID 87601330
2-[(2-propylcyclopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106704168
1-[2-(4-bromophenyl)cyclopropyl]-2-butylguanidine
CID 111096189
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-1-(2-propylcyclopropyl)guanidine?
The IUPAC name of 2-hexyl-1-(2-propylcyclopropyl)guanidine (CID 111822819) is 2-hexyl-1-(2-propylcyclopropyl)guanidine.
What is the SMILES notation for 2-hexyl-1-(2-propylcyclopropyl)guanidine?
The canonical SMILES for 2-hexyl-1-(2-propylcyclopropyl)guanidine is CCCCCC/N=C(\N)NC1CC1CCC.
What is the InChIKey of 2-hexyl-1-(2-propylcyclopropyl)guanidine?
The InChIKey is PRCOHOZVGCGBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-5-6-7-9-15-13(14)16-12-10-11(12)8-4-2/h11-12H,3-10H2,1-2H3,(H3,14,15,16).
What are the key properties of 2-hexyl-1-(2-propylcyclopropyl)guanidine?
2-hexyl-1-(2-propylcyclopropyl)guanidine has a molecular weight of 225.38 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-1-(2-propylcyclopropyl)guanidine is sourced from PubChem (CID 111822819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).