N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide

C16H27N3 — CID 61363093

IUPACN-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide
SMILESCCC(C)C(/C(=N\C(C)(C)C)NN)c1ccccc1
InChIInChI=1S/C16H27N3/c1-6-12(2)14(13-10-8-7-9-11-13)15(19-17)18-16(3,4)5/h7-12,14H,6,17H2,1-5H3,(H,18,19)
InChIKeySURQTDKFNWYGCZ-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.48
Rot. Bonds4

About N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide

N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide (PubChem CID 61363093) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide
PubChem CID61363093
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide
SMILESCCC(C)C(/C(=N\C(C)(C)C)NN)c1ccccc1
InChIInChI=1S/C16H27N3/c1-6-12(2)14(13-10-8-7-9-11-13)15(19-17)18-16(3,4)5/h7-12,14H,6,17H2,1-5H3,(H,18,19)
InChIKeySURQTDKFNWYGCZ-UHFFFAOYSA-N
XLogP3.48
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.48
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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide?
The IUPAC name of N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide (CID 61363093) is N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide?
The canonical SMILES for N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide is CCC(C)C(/C(=N\C(C)(C)C)NN)c1ccccc1.
What is the InChIKey of N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide?
The InChIKey is SURQTDKFNWYGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-6-12(2)14(13-10-8-7-9-11-13)15(19-17)18-16(3,4)5/h7-12,14H,6,17H2,1-5H3,(H,18,19).
What are the key properties of N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide?
N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide has a molecular weight of 261.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide is sourced from PubChem (CID 61363093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).