1-amino-2-pentyl-3-phenylguanidine

C12H20N4 — CID 116511896

IUPAC1-amino-2-pentyl-3-phenylguanidine
SMILESCCCCC/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C12H20N4/c1-2-3-7-10-14-12(16-13)15-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10,13H2,1H3,(H2,14,15,16)
InChIKeyDOVBWDODOYEIIB-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.11
Rot. Bonds5

About 1-amino-2-pentyl-3-phenylguanidine

1-amino-2-pentyl-3-phenylguanidine (PubChem CID 116511896) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-amino-2-pentyl-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-pentyl-3-phenylguanidine
PubChem CID116511896
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-amino-2-pentyl-3-phenylguanidine
SMILESCCCCC/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C12H20N4/c1-2-3-7-10-14-12(16-13)15-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10,13H2,1H3,(H2,14,15,16)
InChIKeyDOVBWDODOYEIIB-UHFFFAOYSA-N
XLogP2.11
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-phenyl-2-propylguanidine
CID 116511382
2-dodecyl-1-phenylguanidine
CID 101076594
1-amino-2-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylguanidine
CID 116514213
1-amino-2-butyl-3-(4-methoxyphenyl)guanidine
CID 116511366
1-amino-3-phenyl-2-(3-pyrrolidin-1-ylpropyl)guanidine
CID 116515102
1-amino-3-(2-bromophenyl)-2-butylguanidine
CID 116512329
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-phenylguanidine
CID 114542427
1-amino-2-butyl-3-(6-ethoxy-3-pyridinyl)guanidine
CID 116515880
1-amino-2-butyl-3-(2-methoxyphenyl)guanidine
CID 116511512
1-amino-3-phenyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 116514712
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-pentyl-3-phenylguanidine?
The IUPAC name of 1-amino-2-pentyl-3-phenylguanidine (CID 116511896) is 1-amino-2-pentyl-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-pentyl-3-phenylguanidine?
The canonical SMILES for 1-amino-2-pentyl-3-phenylguanidine is CCCCC/N=C(\NN)Nc1ccccc1.
What is the InChIKey of 1-amino-2-pentyl-3-phenylguanidine?
The InChIKey is DOVBWDODOYEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-2-3-7-10-14-12(16-13)15-11-8-5-4-6-9-11/h4-6,8-9H,2-3,7,10,13H2,1H3,(H2,14,15,16).
What are the key properties of 1-amino-2-pentyl-3-phenylguanidine?
1-amino-2-pentyl-3-phenylguanidine has a molecular weight of 220.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-pentyl-3-phenylguanidine is sourced from PubChem (CID 116511896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).