N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide

C15H25N3 — CID 61361700

IUPACN-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide
SMILESCCC(C)C(/C(=N/C(C)C)NN)c1ccccc1
InChIInChI=1S/C15H25N3/c1-5-12(4)14(13-9-7-6-8-10-13)15(18-16)17-11(2)3/h6-12,14H,5,16H2,1-4H3,(H,17,18)
InChIKeyFIASOMJQRBPQKL-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.09
Rot. Bonds5

About N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide

N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide (PubChem CID 61361700) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide.

Molecular Properties

Compound NameN-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide
PubChem CID61361700
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide
SMILESCCC(C)C(/C(=N/C(C)C)NN)c1ccccc1
InChIInChI=1S/C15H25N3/c1-5-12(4)14(13-9-7-6-8-10-13)15(18-16)17-11(2)3/h6-12,14H,5,16H2,1-4H3,(H,17,18)
InChIKeyFIASOMJQRBPQKL-UHFFFAOYSA-N
XLogP3.09
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.09
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-N'-ethyl-3-methyl-2-phenylpentanimidamide
CID 61360659
N-amino-N'-tert-butyl-3-methyl-2-phenylpentanimidamide
CID 61363093
N-amino-N'-(2-methoxyethyl)-3-methyl-2-phenylpentanimidamide
CID 55084887
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] (2S,3R)-3-methyl-2-phenylpentanoate
CID 7772782
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] (2S,3S)-3-methyl-2-phenylpentanoate
CID 8970674
N-(2-aminobutyl)-3-methyl-2-phenylpentanamide
CID 63731148
diethyl-methyl-[1-(3-methyl-2-phenylpentanoyl)oxyethyl]azanium
CID 101287014
5-methyl-4-phenylhept-1-yn-3-one
CID 114978498
N-(1,3-dihydroxypropan-2-yl)-3-methyl-2-phenylpentanamide
CID 65315116
N-amino-N'-(2-methoxyethyl)-2-phenylbutanimidamide
CID 62544953
[2-(carbamoylamino)-2-oxoethyl] (2R,3R)-3-methyl-2-phenylpentanoate
CID 7772578

Frequently Asked Questions

What is the IUPAC name of N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide?
The IUPAC name of N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide (CID 61361700) is N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide.
What is the SMILES notation for N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide?
The canonical SMILES for N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide is CCC(C)C(/C(=N/C(C)C)NN)c1ccccc1.
What is the InChIKey of N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide?
The InChIKey is FIASOMJQRBPQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-5-12(4)14(13-9-7-6-8-10-13)15(18-16)17-11(2)3/h6-12,14H,5,16H2,1-4H3,(H,17,18).
What are the key properties of N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide?
N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide has a molecular weight of 247.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-methyl-2-phenyl-N'-propan-2-ylpentanimidamide is sourced from PubChem (CID 61361700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).