3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine

C15H26N4 — CID 116515566

IUPAC3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine
SMILESCCCCN(/C(=N/CC(C)C)NN)c1ccccc1
InChIInChI=1S/C15H26N4/c1-4-5-11-19(14-9-7-6-8-10-14)15(18-16)17-12-13(2)3/h6-10,13H,4-5,11-12,16H2,1-3H3,(H,17,18)
InChIKeyPHPDXQPCKFTBEN-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.77
Rot. Bonds6

About 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine

3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine (PubChem CID 116515566) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine.

Molecular Properties

Compound Name3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine
PubChem CID116515566
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine
SMILESCCCCN(/C(=N/CC(C)C)NN)c1ccccc1
InChIInChI=1S/C15H26N4/c1-4-5-11-19(14-9-7-6-8-10-14)15(18-16)17-12-13(2)3/h6-10,13H,4-5,11-12,16H2,1-3H3,(H,17,18)
InChIKeyPHPDXQPCKFTBEN-UHFFFAOYSA-N
XLogP2.77
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
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

3-amino-1-methyl-2-(2-methylpropyl)-1-phenylguanidine
CID 116512868
3-amino-1-butyl-1-cyclopropyl-2-(2-methylpropyl)guanidine
CID 104884602
1-butyl-2-methyl-1-phenylguanidine
CID 64586951
N-butyl-N-phenyl-2-(propan-2-ylamino)acetamide
CID 64584219
4-amino-N-butyl-N-phenylpentanamide
CID 64585388
N-butyl-2-methyl-N-phenylpentanamide
CID 17256785
3-[[butyl(phenyl)carbamoyl]amino]butanoic acid
CID 64585223
3-amino-1,1-dimethyl-2-(2-methylpropyl)guanidine
CID 104883395
N-butyl-2-(N'-hydroxycarbamimidoyl)-3-methyl-N-phenylbutanamide
CID 77047541
N-butyl-2,2-dichloro-N-phenylacetamide
CID 4539736
O-ethyl N-butyl-N-phenylcarbamothioate
CID 154107211
(2S)-2-amino-N-butyl-N-phenylpentanamide
CID 107569866

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine?
The IUPAC name of 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine (CID 116515566) is 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine.
What is the SMILES notation for 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine?
The canonical SMILES for 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine is CCCCN(/C(=N/CC(C)C)NN)c1ccccc1.
What is the InChIKey of 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine?
The InChIKey is PHPDXQPCKFTBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-4-5-11-19(14-9-7-6-8-10-14)15(18-16)17-12-13(2)3/h6-10,13H,4-5,11-12,16H2,1-3H3,(H,17,18).
What are the key properties of 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine?
3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine has a molecular weight of 262.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-2-(2-methylpropyl)-1-phenylguanidine is sourced from PubChem (CID 116515566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).