1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine

C14H24N4 — CID 116513161

IUPAC1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine
SMILESCCCCc1ccc(N/C(=N/C(C)C)NN)cc1
InChIInChI=1S/C14H24N4/c1-4-5-6-12-7-9-13(10-8-12)17-14(18-15)16-11(2)3/h7-11H,4-6,15H2,1-3H3,(H2,16,17,18)
InChIKeyFLFDTFVKPMJSOJ-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.67
Rot. Bonds5

About 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine

1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine (PubChem CID 116513161) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine
PubChem CID116513161
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine
SMILESCCCCc1ccc(N/C(=N/C(C)C)NN)cc1
InChIInChI=1S/C14H24N4/c1-4-5-6-12-7-9-13(10-8-12)17-14(18-15)16-11(2)3/h7-11H,4-6,15H2,1-3H3,(H2,16,17,18)
InChIKeyFLFDTFVKPMJSOJ-UHFFFAOYSA-N
XLogP2.67
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.67
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-ethyl-3-(4-propylphenyl)guanidine
CID 116513167
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
(2R)-2-amino-N-(4-butylphenyl)-3-methylbutanamide
CID 79011565
(2S)-N-(4-butylphenyl)-2-(methylamino)propanamide
CID 94434276
[[N,N'-bis(4-butylphenyl)carbamimidoyl]amino] methanesulfonate
CID 87759198
methyl (2R)-2-[(4-butylphenyl)carbamoylamino]propanoate
CID 7660335
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
2-[4-[(4-butylphenyl)carbamothioylamino]phenyl]acetic acid
CID 19649094
1-(4-butylphenyl)-3-(3,5-difluorophenyl)thiourea
CID 53488849
1-(4-butylphenyl)-3-(4-ethylphenyl)urea
CID 4616049
1-(4-butylphenyl)-3-(dimethylamino)thiourea
CID 8626030
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine?
The IUPAC name of 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine (CID 116513161) is 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine?
The canonical SMILES for 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine is CCCCc1ccc(N/C(=N/C(C)C)NN)cc1.
What is the InChIKey of 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine?
The InChIKey is FLFDTFVKPMJSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-5-6-12-7-9-13(10-8-12)17-14(18-15)16-11(2)3/h7-11H,4-6,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine?
1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine has a molecular weight of 248.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-butylphenyl)-2-propan-2-ylguanidine is sourced from PubChem (CID 116513161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).