2-(cyclopropylmethyl)-1-phenylguanidine

C11H15N3 — CID 62364047

IUPAC2-(cyclopropylmethyl)-1-phenylguanidine
SMILESN/C(=N\CC1CC1)Nc1ccccc1
InChIInChI=1S/C11H15N3/c12-11(13-8-9-6-7-9)14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H3,12,13,14)
InChIKeyPMXFAPINGAHZRE-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.82
Rot. Bonds3

About 2-(cyclopropylmethyl)-1-phenylguanidine

2-(cyclopropylmethyl)-1-phenylguanidine (PubChem CID 62364047) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-phenylguanidine.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-phenylguanidine
PubChem CID62364047
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(cyclopropylmethyl)-1-phenylguanidine
SMILESN/C(=N\CC1CC1)Nc1ccccc1
InChIInChI=1S/C11H15N3/c12-11(13-8-9-6-7-9)14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H3,12,13,14)
InChIKeyPMXFAPINGAHZRE-UHFFFAOYSA-N
XLogP1.82
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.82
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

2-(cyclopropylmethyl)-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111598069
2-[(3,3-difluorocyclopentyl)methyl]-1-phenylguanidine
CID 120665916
2-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-phenylguanidine
CID 111858324
2-[(2-methylcyclopropyl)methyl]-1-phenylguanidine
CID 115600996
2-[(2-methylcyclohexyl)methyl]-1-phenylguanidine;hydroiodide
CID 110912555
2-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]-1-phenylguanidine
CID 119147719
2-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]-1-phenylguanidine
CID 119147141
2-(cyclopropylmethyl)-1-(2,6-diethylphenyl)guanidine;hydroiodide
CID 111040778
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
2-[(6-oxopiperidin-2-yl)methyl]-1-phenylguanidine
CID 120606170
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1-phenylguanidine
CID 111111458

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-phenylguanidine?
The IUPAC name of 2-(cyclopropylmethyl)-1-phenylguanidine (CID 62364047) is 2-(cyclopropylmethyl)-1-phenylguanidine.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-phenylguanidine?
The canonical SMILES for 2-(cyclopropylmethyl)-1-phenylguanidine is N/C(=N\CC1CC1)Nc1ccccc1.
What is the InChIKey of 2-(cyclopropylmethyl)-1-phenylguanidine?
The InChIKey is PMXFAPINGAHZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-11(13-8-9-6-7-9)14-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H3,12,13,14).
What are the key properties of 2-(cyclopropylmethyl)-1-phenylguanidine?
2-(cyclopropylmethyl)-1-phenylguanidine has a molecular weight of 189.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-phenylguanidine is sourced from PubChem (CID 62364047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).