N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide

C17H29N3O — CID 106711462

IUPACN'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
SMILESCc1cccc([C@H](C)NCCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C17H29N3O/c1-13-8-7-9-15(12-13)14(2)19-11-6-5-10-17(3,4)16(18)20-21/h7-9,12,14,19,21H,5-6,10-11H2,1-4H3,(H2,18,20)/t14-/m0/s1
InChIKeyCXYZAIOVUBIZHX-AWEZNQCLSA-N
MW291.44 g/mol
LogP3.59
Rot. Bonds8

About N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide

N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide (PubChem CID 106711462) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
PubChem CID106711462
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide
SMILESCc1cccc([C@H](C)NCCCCC(C)(C)/C(N)=N/O)c1
InChIInChI=1S/C17H29N3O/c1-13-8-7-9-15(12-13)14(2)19-11-6-5-10-17(3,4)16(18)20-21/h7-9,12,14,19,21H,5-6,10-11H2,1-4H3,(H2,18,20)/t14-/m0/s1
InChIKeyCXYZAIOVUBIZHX-AWEZNQCLSA-N
XLogP3.59
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N'-hydroxy-2,2-dimethyl-5-[[(1R)-1-(3-methylphenyl)ethyl]amino]pentanimidamide
CID 81360398
N'-hydroxy-2,2-dimethyl-6-[1-(4-methylphenyl)ethylamino]hexanimidamide
CID 106711270
5-[[(1S)-1-(3-bromophenyl)ethyl]amino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 81376418
N'-hydroxy-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-2,2-dimethylpentanimidamide
CID 81353793
4-[1-(3-bromophenyl)ethylamino]-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062034
5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
CID 115496246
N'-hydroxy-2,2-dimethyl-6-[[(1R)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711483
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-thiophen-2-ylethyl]amino]hexanimidamide
CID 106711482
6-[1-(furan-2-yl)ethylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106711078
5-[1-(4-fluorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063738
5-[1-(4-chlorophenyl)ethylamino]-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064106
5-[1-(3-methylphenyl)ethylamino]pentan-1-ol
CID 107303118

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide (CID 106711462) is N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide is Cc1cccc([C@H](C)NCCCCC(C)(C)/C(N)=N/O)c1.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide?
The InChIKey is CXYZAIOVUBIZHX-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13-8-7-9-15(12-13)14(2)19-11-6-5-10-17(3,4)16(18)20-21/h7-9,12,14,19,21H,5-6,10-11H2,1-4H3,(H2,18,20)/t14-/m0/s1.
What are the key properties of N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide?
N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide has a molecular weight of 291.44 g/mol, XLogP of 3.59, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]hexanimidamide is sourced from PubChem (CID 106711462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).