3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide

C17H27N3O — CID 81389056

IUPAC3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESC[C@H](NC(C/C(N)=N/O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-13(14-8-4-2-5-9-14)19-16(12-17(18)20-21)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16,19,21H,2,4-5,8-9,12H2,1H3,(H2,18,20)/t13-,16?/m0/s1
InChIKeyDPWYTUZJMZXDCQ-KNVGNIICSA-N
MW289.42 g/mol
LogP3.42
Rot. Bonds6

About 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide

3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 81389056) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
PubChem CID81389056
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESC[C@H](NC(C/C(N)=N/O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H27N3O/c1-13(14-8-4-2-5-9-14)19-16(12-17(18)20-21)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16,19,21H,2,4-5,8-9,12H2,1H3,(H2,18,20)/t13-,16?/m0/s1
InChIKeyDPWYTUZJMZXDCQ-KNVGNIICSA-N
XLogP3.42
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(1-cyclopropylethylamino)-N'-hydroxy-3-phenylpropanimidamide
CID 77029618
N'-hydroxy-3-phenyl-3-(propan-2-ylamino)propanimidamide
CID 77026633
2-(1-cyclopentylethylamino)-2-phenylethanol
CID 63182560
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxybutanimidamide
CID 81386366
N'-hydroxy-3-(oxan-4-ylamino)-3-phenylpropanimidamide
CID 77028831
N-(1-cyclopropylethyl)-1-phenylpropan-1-amine
CID 43533329
3-[(2,2-dimethylcyclopentyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 79878175
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide
CID 77027819
N'-hydroxy-3-phenyl-3-(1-pyridin-3-ylethylamino)propanimidamide
CID 77028172
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
N'-hydroxy-3-(octan-4-ylamino)-3-phenylpropanimidamide
CID 106019347

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide (CID 81389056) is 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide is C[C@H](NC(C/C(N)=N/O)c1ccccc1)C1CCCCC1.
What is the InChIKey of 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is DPWYTUZJMZXDCQ-KNVGNIICSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(14-8-4-2-5-9-14)19-16(12-17(18)20-21)15-10-6-3-7-11-15/h3,6-7,10-11,13-14,16,19,21H,2,4-5,8-9,12H2,1H3,(H2,18,20)/t13-,16?/m0/s1.
What are the key properties of 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide?
3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 289.42 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-1-cyclohexylethyl]amino]-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 81389056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).