N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide

C12H26N4O — CID 114015127

IUPACN'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CCC1CCCCN1C
InChIInChI=1S/C12H26N4O/c1-10(12(13)14-17)15(2)9-7-11-6-4-5-8-16(11)3/h10-11,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyQUSXLNOVLLVPBH-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.93
Rot. Bonds5

About N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide

N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide (PubChem CID 114015127) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
PubChem CID114015127
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC NameN'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide
SMILESCC(C(N)=NO)N(C)CCC1CCCCN1C
InChIInChI=1S/C12H26N4O/c1-10(12(13)14-17)15(2)9-7-11-6-4-5-8-16(11)3/h10-11,17H,4-9H2,1-3H3,(H2,13,14)
InChIKeyQUSXLNOVLLVPBH-UHFFFAOYSA-N
XLogP0.93
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(2R)-N-(4-methylcyclohexyl)-2-[methyl-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]amino]propanamide
CID 124781667
(2S)-2-amino-N,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide
CID 119894084
N'-methyl-N'-[2-(1-methylpiperidin-2-yl)ethyl]ethane-1,2-diamine
CID 62688458
N'-hydroxy-2-[methyl-[3-(oxolan-2-yl)propyl]amino]propanimidamide
CID 77057917
N,N-dimethyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 142889902
N'-hydroxy-2-[3-(2-methoxyethoxy)propyl-methylamino]propanimidamide
CID 103409990
2-[2-(1-methylpiperidin-2-yl)ethyl-propan-2-ylamino]acetic acid
CID 60838965
(2S)-2-amino-N,3,3-trimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butanamide;dihydrochloride
CID 119894079
ethyl 3-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanoate
CID 62012811
1-(1-methylazepan-2-yl)propan-2-ol
CID 114338740
N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
CID 62414712
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
The IUPAC name of N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide (CID 114015127) is N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide is CC(C(N)=NO)N(C)CCC1CCCCN1C.
What is the InChIKey of N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
The InChIKey is QUSXLNOVLLVPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(12(13)14-17)15(2)9-7-11-6-4-5-8-16(11)3/h10-11,17H,4-9H2,1-3H3,(H2,13,14).
What are the key properties of N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide?
N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[methyl-[2-(1-methylpiperidin-2-yl)ethyl]amino]propanimidamide is sourced from PubChem (CID 114015127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).