1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine

C14H22N4 — CID 116515625

IUPAC1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine
SMILESCC1CCC(/N=C(\NN)Nc2ccccc2)C1C
InChIInChI=1S/C14H22N4/c1-10-8-9-13(11(10)2)17-14(18-15)16-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3,(H2,16,17,18)
InChIKeyLDNLQVODRQGMQA-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.35
Rot. Bonds2

About 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine

1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine (PubChem CID 116515625) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine
PubChem CID116515625
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine
SMILESCC1CCC(/N=C(\NN)Nc2ccccc2)C1C
InChIInChI=1S/C14H22N4/c1-10-8-9-13(11(10)2)17-14(18-15)16-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3,(H2,16,17,18)
InChIKeyLDNLQVODRQGMQA-UHFFFAOYSA-N
XLogP2.35
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.35
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-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-phenylguanidine
CID 116514258
1-amino-2-(1,1-dioxothian-4-yl)-3-phenylguanidine
CID 116513399
1-amino-2-[(4-methylcyclohexyl)methyl]-3-phenylguanidine
CID 116515017
1-amino-2-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
CID 116515233
1-amino-2-(cyclopentylmethyl)-3-phenylguanidine
CID 116513181
cis-(1S,2R)-2-[(1S,2R,3R)-2,3-dimethylcyclopentyl]-N-phenylcyclobutane-1-carboxamide
CID 121339938
1-amino-2-cyclopropyl-3-(3-phenoxyphenyl)guanidine
CID 116514298
1-amino-2-[(2,2-dimethylcyclopropyl)methyl]-3-phenylguanidine
CID 114110145
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
1-amino-2-[2-[cyclopentyl(methyl)amino]ethyl]-3-phenylguanidine
CID 116515292
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine (CID 116515625) is 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine is CC1CCC(/N=C(\NN)Nc2ccccc2)C1C.
What is the InChIKey of 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine?
The InChIKey is LDNLQVODRQGMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-8-9-13(11(10)2)17-14(18-15)16-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9,15H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine?
1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine has a molecular weight of 246.36 g/mol, XLogP of 2.35, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2,3-dimethylcyclopentyl)-3-phenylguanidine is sourced from PubChem (CID 116515625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).