1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine

C14H24N4 — CID 116515342

IUPAC1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine
SMILESCC(C)CCC(C)/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C14H24N4/c1-11(2)9-10-12(3)16-14(18-15)17-13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyPCBHVAIYQGAFSG-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.74
Rot. Bonds5

About 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine

1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine (PubChem CID 116515342) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine.

Molecular Properties

Compound Name1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine
PubChem CID116515342
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine
SMILESCC(C)CCC(C)/N=C(\NN)Nc1ccccc1
InChIInChI=1S/C14H24N4/c1-11(2)9-10-12(3)16-14(18-15)17-13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3,(H2,16,17,18)
InChIKeyPCBHVAIYQGAFSG-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
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-(1-cyclopropylpropan-2-yl)-3-phenylguanidine
CID 116515233
2-[[anilino(hydrazinyl)methylidene]amino]-3-methylbutanamide
CID 114176658
2-(4-methylpentan-2-yl)-1-phenylguanidine
CID 62362763
1-amino-3-phenyl-2-propylguanidine
CID 116511382
1-amino-2-(1-methoxypropan-2-yl)-3-(4-methylphenyl)guanidine
CID 116512578
1-amino-2-(2,2-dimethylpropyl)-3-phenylguanidine
CID 116513757
1-amino-2-(1-methoxypropan-2-yl)-3-naphthalen-2-ylguanidine
CID 116514097
2-(5-methylhexyl)-1-phenylguanidine;hydroiodide
CID 111456334
1-amino-2-(1-methoxypropan-2-yl)-3-(4-propan-2-yloxyphenyl)guanidine
CID 116512716
2-(1-methoxypropan-2-yl)-1-phenylguanidine
CID 62364056
1-amino-2-pentyl-3-phenylguanidine
CID 116511896
1-amino-2-[4-[methyl(propan-2-yl)amino]butyl]-3-phenylguanidine
CID 116514213

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine?
The IUPAC name of 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine (CID 116515342) is 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine.
What is the SMILES notation for 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine?
The canonical SMILES for 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine is CC(C)CCC(C)/N=C(\NN)Nc1ccccc1.
What is the InChIKey of 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine?
The InChIKey is PCBHVAIYQGAFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-11(2)9-10-12(3)16-14(18-15)17-13-7-5-4-6-8-13/h4-8,11-12H,9-10,15H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine?
1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine has a molecular weight of 248.37 g/mol, XLogP of 2.74, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(5-methylhexan-2-yl)-3-phenylguanidine is sourced from PubChem (CID 116515342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).