N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide

C17H42N10O5 — CID 158375417

IUPACN'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide
SMILESCC(C)C(N)=NO.CC(C)C(N)=NO.CC(N)=NO.CCC(N)=NO.NC(=NO)C1CC1
InChIInChI=1S/C4H8N2O.2C4H10N2O.C3H8N2O.C2H6N2O/c5-4(6-7)3-1-2-3;2*1-3(2)4(5)6-7;1-2-3(4)5-6;1-2(3)4-5/h3,7H,1-2H2,(H2,5,6);2*3,7H,1-2H3,(H2,5,6);6H,2H2,1H3,(H2,4,5);5H,1H3,(H2,3,4)
InChIKeyGVCYGYMOISURCJ-UHFFFAOYSA-N
MW466.59 g/mol
LogP0.82
Rot. Bonds4

About N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide

N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide (PubChem CID 158375417) has the molecular formula C17H42N10O5 and a molecular weight of 466.59 g/mol. Its IUPAC name is N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide.

Molecular Properties

Compound NameN'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide
PubChem CID158375417
Molecular FormulaC17H42N10O5
Molecular Weight466.59 g/mol
Exact Mass466.33
IUPAC NameN'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide
SMILESCC(C)C(N)=NO.CC(C)C(N)=NO.CC(N)=NO.CCC(N)=NO.NC(=NO)C1CC1
InChIInChI=1S/C4H8N2O.2C4H10N2O.C3H8N2O.C2H6N2O/c5-4(6-7)3-1-2-3;2*1-3(2)4(5)6-7;1-2-3(4)5-6;1-2(3)4-5/h3,7H,1-2H2,(H2,5,6);2*3,7H,1-2H3,(H2,5,6);6H,2H2,1H3,(H2,4,5);5H,1H3,(H2,3,4)
InChIKeyGVCYGYMOISURCJ-UHFFFAOYSA-N
XLogP0.82
TPSA293.05 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 50.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide?
The IUPAC name of N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide (CID 158375417) is N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide.
What is the SMILES notation for N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide?
The canonical SMILES for N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide is CC(C)C(N)=NO.CC(C)C(N)=NO.CC(N)=NO.CCC(N)=NO.NC(=NO)C1CC1.
What is the InChIKey of N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide?
The InChIKey is GVCYGYMOISURCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O.2C4H10N2O.C3H8N2O.C2H6N2O/c5-4(6-7)3-1-2-3;2*1-3(2)4(5)6-7;1-2-3(4)5-6;1-2(3)4-5/h3,7H,1-2H2,(H2,5,6);2*3,7H,1-2H3,(H2,5,6);6H,2H2,1H3,(H2,4,5);5H,1H3,(H2,3,4).
What are the key properties of N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide?
N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide has a molecular weight of 466.59 g/mol, XLogP of 0.82, 4 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxycyclopropanecarboximidamide;N'-hydroxyethanimidamide;bis(N'-hydroxy-2-methylpropanimidamide);N'-hydroxypropanimidamide is sourced from PubChem (CID 158375417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).