N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide

C14H23N3 — CID 61360659

IUPACN-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide
SMILESCC/N=C(\NN)C(c1ccccc1)C(C)CC
InChIInChI=1S/C14H23N3/c1-4-11(3)13(14(17-15)16-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyUPRPWHIUABIYMF-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.70
Rot. Bonds5

About N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide

N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide (PubChem CID 61360659) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide.

Molecular Properties

Compound NameN-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide
PubChem CID61360659
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide
SMILESCC/N=C(\NN)C(c1ccccc1)C(C)CC
InChIInChI=1S/C14H23N3/c1-4-11(3)13(14(17-15)16-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5,15H2,1-3H3,(H,16,17)
InChIKeyUPRPWHIUABIYMF-UHFFFAOYSA-N
XLogP2.70
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.70
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

N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide
CID 61361700
N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide
CID 55084887
N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide
CID 61363093
N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide
CID 62544953
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578
3,7-dimethyl-4-phenyldecan-5-one
CID 114968742
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
1-(3-chlorothiophen-2-yl)-3-methyl-2-phenylpentan-1-one
CID 80530061

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide?
The IUPAC name of N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide (CID 61360659) is N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide.
What is the SMILES notation for N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide?
The canonical SMILES for N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide is CC/N=C(\NN)C(c1ccccc1)C(C)CC.
What is the InChIKey of N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide?
The InChIKey is UPRPWHIUABIYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-4-11(3)13(14(17-15)16-5-2)12-9-7-6-8-10-12/h6-11,13H,4-5,15H2,1-3H3,(H,16,17).
What are the key properties of N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide?
N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide has a molecular weight of 233.36 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-ethyl-3-methyl-2-phenylpentanimidamide is sourced from PubChem (CID 61360659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).