1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine

C10H20N4 — CID 104888658

IUPAC1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
SMILESNN/C(=N\CCC1CCC1)NC1CC1
InChIInChI=1S/C10H20N4/c11-14-10(13-9-4-5-9)12-7-6-8-2-1-3-8/h8-9H,1-7,11H2,(H2,12,13,14)
InChIKeyMJAHPWLEJAEQSI-UHFFFAOYSA-N
MW196.30 g/mol
LogP0.75
Rot. Bonds4

About 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine

1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine (PubChem CID 104888658) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine.

Molecular Properties

Compound Name1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
PubChem CID104888658
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine
SMILESNN/C(=N\CCC1CCC1)NC1CC1
InChIInChI=1S/C10H20N4/c11-14-10(13-9-4-5-9)12-7-6-8-2-1-3-8/h8-9H,1-7,11H2,(H2,12,13,14)
InChIKeyMJAHPWLEJAEQSI-UHFFFAOYSA-N
XLogP0.75
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
CID 104887133
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
1-amino-2-ethyl-3-(3-ethylcyclohexyl)guanidine
CID 104886810
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296453
N-tert-butyl-3-[[(cyclopentylamino)-hydrazinylmethylidene]amino]propanamide
CID 104888342

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine?
The IUPAC name of 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine (CID 104888658) is 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine.
What is the SMILES notation for 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine?
The canonical SMILES for 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine is NN/C(=N\CCC1CCC1)NC1CC1.
What is the InChIKey of 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine?
The InChIKey is MJAHPWLEJAEQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c11-14-10(13-9-4-5-9)12-7-6-8-2-1-3-8/h8-9H,1-7,11H2,(H2,12,13,14).
What are the key properties of 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine?
1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine has a molecular weight of 196.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-cyclobutylethyl)-3-cyclopropylguanidine is sourced from PubChem (CID 104888658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).