1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine

C13H25N3 — CID 122096624

IUPAC1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine
SMILESCC(C)(CC/N=C(\N)NC1CCC1)C1CC1
InChIInChI=1S/C13H25N3/c1-13(2,10-6-7-10)8-9-15-12(14)16-11-4-3-5-11/h10-11H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyZBWUEWRTUFVVDG-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.27
Rot. Bonds5

About 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine

1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine (PubChem CID 122096624) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine.

Molecular Properties

Compound Name1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine
PubChem CID122096624
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine
SMILESCC(C)(CC/N=C(\N)NC1CCC1)C1CC1
InChIInChI=1S/C13H25N3/c1-13(2,10-6-7-10)8-9-15-12(14)16-11-4-3-5-11/h10-11H,3-9H2,1-2H3,(H3,14,15,16)
InChIKeyZBWUEWRTUFVVDG-UHFFFAOYSA-N
XLogP2.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclobutyl-2-(cycloheptylmethyl)guanidine
CID 122097653
1-cyclohexyl-2-ethylguanidine
CID 18727697
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
1-cyclohexyl-2-octylguanidine
CID 113337391
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclobutyl-2-[2-(1-methoxycyclobutyl)ethyl]guanidine
CID 122096356
1-cyclopentyl-2-(3-ethoxypropyl)guanidine
CID 62364488
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
1-cyclohexyl-2-(2-ethoxyethyl)guanidine
CID 62363423
1-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine?
The IUPAC name of 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine (CID 122096624) is 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine.
What is the SMILES notation for 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine?
The canonical SMILES for 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine is CC(C)(CC/N=C(\N)NC1CCC1)C1CC1.
What is the InChIKey of 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine?
The InChIKey is ZBWUEWRTUFVVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,10-6-7-10)8-9-15-12(14)16-11-4-3-5-11/h10-11H,3-9H2,1-2H3,(H3,14,15,16).
What are the key properties of 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine?
1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine has a molecular weight of 223.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3-cyclopropyl-3-methylbutyl)guanidine is sourced from PubChem (CID 122096624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).