2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide

C16H35N3O — CID 76997749

IUPAC2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCCCCCCCCCCCN(C)C(C)C(N)=NO
InChIInChI=1S/C16H35N3O/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)15(2)16(17)18-20/h15,20H,4-14H2,1-3H3,(H2,17,18)
InChIKeyVOABXCAQWBFFIS-UHFFFAOYSA-N
MW285.48 g/mol
LogP3.97
Rot. Bonds13

About 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide

2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 76997749) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID76997749
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCCCCCCCCCCCCN(C)C(C)C(N)=NO
InChIInChI=1S/C16H35N3O/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)15(2)16(17)18-20/h15,20H,4-14H2,1-3H3,(H2,17,18)
InChIKeyVOABXCAQWBFFIS-UHFFFAOYSA-N
XLogP3.97
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
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

2-[3-ethoxypropyl(methyl)amino]-N'-hydroxypropanimidamide
CID 77058097
N'-hydroxy-2-[methyl(3-phenylpropyl)amino]propanimidamide
CID 76928460
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
N'-hydroxy-2-[methyl(2-propan-2-yloxyethyl)amino]propanimidamide
CID 76928096
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylhexanamide
CID 76928101
3-[decyl(methyl)amino]butanethioamide
CID 63512531
3-[hexyl(methyl)amino]butanethioamide
CID 63223651
2-[butyl(methyl)amino]propanamide
CID 60644986
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
2-N-dodecyl-2-N-methylpropane-1,2-diamine
CID 104556816

Frequently Asked Questions

What is the IUPAC name of 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide (CID 76997749) is 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide is CCCCCCCCCCCCN(C)C(C)C(N)=NO.
What is the InChIKey of 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is VOABXCAQWBFFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-4-5-6-7-8-9-10-11-12-13-14-19(3)15(2)16(17)18-20/h15,20H,4-14H2,1-3H3,(H2,17,18).
What are the key properties of 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 285.48 g/mol, XLogP of 3.97, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dodecyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 76997749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).