1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine

C13H20N4 — CID 116515233

IUPAC1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
SMILESCC(CC1CC1)/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C13H20N4/c1-10(9-11-7-8-11)15-13(17-14)16-12-5-3-2-4-6-12/h2-6,10-11H,7-9,14H2,1H3,(H2,15,16,17)
InChIKeyGAMPMKHQZUKUSJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.11
Rot. Bonds4

About 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine

1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine (PubChem CID 116515233) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
PubChem CID116515233
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
SMILESCC(CC1CC1)/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C13H20N4/c1-10(9-11-7-8-11)15-13(17-14)16-12-5-3-2-4-6-12/h2-6,10-11H,7-9,14H2,1H3,(H2,15,16,17)
InChIKeyGAMPMKHQZUKUSJ-UHFFFAOYSA-N
XLogP2.11
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.11
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-(5-methylhexan-2-yl)-3-phenylguanidine
CID 116515342
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide
CID 114176658
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716
1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine
CID 116515625
1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
CID 116515292
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-[(1-methylpyrrolidin-2-yl)methyl]-3-phenylguanidine
CID 106026185

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine (CID 116515233) is 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine is CC(CC1CC1)/N=C(\NN)Nc1ccccc1.
What is the InChIKey of 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine?
The InChIKey is GAMPMKHQZUKUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(9-11-7-8-11)15-13(17-14)16-12-5-3-2-4-6-12/h2-6,10-11H,7-9,14H2,1H3,(H2,15,16,17).
What are the key properties of 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine?
1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine has a molecular weight of 232.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine is sourced from PubChem (CID 116515233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).