2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane

C14H24N2O — CID 143076718

IUPAC2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane
SMILESC/N=C(/c1cccc(C)c1O)N(C)C.CCC
InChIInChI=1S/C11H16N2O.C3H8/c1-8-6-5-7-9(10(8)14)11(12-2)13(3)4;1-3-2/h5-7,14H,1-4H3;3H2,1-2H3/b12-11-;
InChIKeyRXTYWVYFUHUDAD-AFEZEDKISA-N
MW236.36 g/mol
LogP3.05
Rot. Bonds1

About 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane

2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane (PubChem CID 143076718) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane.

Molecular Properties

Compound Name2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane
PubChem CID143076718
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane
SMILESC/N=C(/c1cccc(C)c1O)N(C)C.CCC
InChIInChI=1S/C11H16N2O.C3H8/c1-8-6-5-7-9(10(8)14)11(12-2)13(3)4;1-3-2/h5-7,14H,1-4H3;3H2,1-2H3/b12-11-;
InChIKeyRXTYWVYFUHUDAD-AFEZEDKISA-N
XLogP3.05
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-6-[(Z)-3-methylpent-2-en-2-yl]phenol
CID 20676610
butane;2,6-dimethylphenol;ethane
CID 143018459
N-(1-chloropropan-2-yl)-2-hydroxy-N,3-dimethylbenzamide
CID 104555728
2-hydroxy-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 43430193
N-[4-(dimethylamino)phenyl]-2-hydroxy-3-methylbenzamide
CID 43405605
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
N-[3-[ethyl(methyl)amino]phenyl]-2-hydroxy-3-methylbenzamide
CID 86880325
N-ethyl-2-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 43266066
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-3-methylbenzamide
CID 60717668
2-hydroxy-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64512827

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane?
The IUPAC name of 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane (CID 143076718) is 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane.
What is the SMILES notation for 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane?
The canonical SMILES for 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane is C/N=C(/c1cccc(C)c1O)N(C)C.CCC.
What is the InChIKey of 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane?
The InChIKey is RXTYWVYFUHUDAD-AFEZEDKISA-N. The full InChI is InChI=1S/C11H16N2O.C3H8/c1-8-6-5-7-9(10(8)14)11(12-2)13(3)4;1-3-2/h5-7,14H,1-4H3;3H2,1-2H3/b12-11-;.
What are the key properties of 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane?
2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane has a molecular weight of 236.36 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N,N',3-tetramethylbenzenecarboximidamide;propane is sourced from PubChem (CID 143076718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).