1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine

C9H18N4 — CID 104887133

IUPAC1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
SMILESNN/C(=N\CCC1CC1)NC1CC1
InChIInChI=1S/C9H18N4/c10-13-9(12-8-3-4-8)11-6-5-7-1-2-7/h7-8H,1-6,10H2,(H2,11,12,13)
InChIKeyVYFIDGGFSQDITN-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.36
Rot. Bonds4

About 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine

1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine (PubChem CID 104887133) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine.

Molecular Properties

Compound Name1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
PubChem CID104887133
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine
SMILESNN/C(=N\CCC1CC1)NC1CC1
InChIInChI=1S/C9H18N4/c10-13-9(12-8-3-4-8)11-6-5-7-1-2-7/h7-8H,1-6,10H2,(H2,11,12,13)
InChIKeyVYFIDGGFSQDITN-UHFFFAOYSA-N
XLogP0.36
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.36
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-cyclobutylethyl)-3-cyclopropylguanidine
CID 104888658
1-amino-2-(2-cyclohexylethyl)-3-cyclopropylguanidine
CID 104884183
1-amino-2-(3-cyclopentylpropyl)-3-cyclopropylguanidine
CID 106013169
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055
1-amino-3-cyclopropyl-2-(3,3,3-trifluoropropyl)guanidine
CID 104885808
1-amino-3-cyclopropyl-2-[(4-methylcyclohexyl)methyl]guanidine
CID 104885819
1-amino-3-cyclopentyl-2-(cyclopentylmethyl)guanidine
CID 104883783
1-amino-3-cyclopropyl-2-[3-(diethylamino)propyl]guanidine
CID 104883068
1-cyclohexyl-2-(2-cyclopropylethyl)-3-ethylguanidine;hydroiodide
CID 111604591
1-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropyl)guanidine
CID 106296453
3-[[(cyclopropylamino)-hydrazinylmethylidene]amino]-N,N-diethylpropanamide
CID 104888373
1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 104885074

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine?
The IUPAC name of 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine (CID 104887133) is 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine.
What is the SMILES notation for 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine?
The canonical SMILES for 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine is NN/C(=N\CCC1CC1)NC1CC1.
What is the InChIKey of 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine?
The InChIKey is VYFIDGGFSQDITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c10-13-9(12-8-3-4-8)11-6-5-7-1-2-7/h7-8H,1-6,10H2,(H2,11,12,13).
What are the key properties of 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine?
1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine has a molecular weight of 182.27 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-cyclopropyl-2-(2-cyclopropylethyl)guanidine is sourced from PubChem (CID 104887133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).