N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide

C18H30N2O — CID 58910211

IUPACN'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide
SMILESCCC(C)(CC)CC(O)c1cccc(/N=C(\C)N(C)C)c1
InChIInChI=1S/C18H30N2O/c1-7-18(4,8-2)13-17(21)15-10-9-11-16(12-15)19-14(3)20(5)6/h9-12,17,21H,7-8,13H2,1-6H3/b19-14+
InChIKeyOLUALURJUIZMRA-XMHGGMMESA-N
MW290.45 g/mol
LogP4.55
Rot. Bonds6

About N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide

N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide (PubChem CID 58910211) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide.

Molecular Properties

Compound NameN'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide
PubChem CID58910211
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide
SMILESCCC(C)(CC)CC(O)c1cccc(/N=C(\C)N(C)C)c1
InChIInChI=1S/C18H30N2O/c1-7-18(4,8-2)13-17(21)15-10-9-11-16(12-15)19-14(3)20(5)6/h9-12,17,21H,7-8,13H2,1-6H3/b19-14+
InChIKeyOLUALURJUIZMRA-XMHGGMMESA-N
XLogP4.55
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.55
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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Frequently Asked Questions

What is the IUPAC name of N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide?
The IUPAC name of N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide (CID 58910211) is N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide.
What is the SMILES notation for N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide?
The canonical SMILES for N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide is CCC(C)(CC)CC(O)c1cccc(/N=C(\C)N(C)C)c1.
What is the InChIKey of N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide?
The InChIKey is OLUALURJUIZMRA-XMHGGMMESA-N. The full InChI is InChI=1S/C18H30N2O/c1-7-18(4,8-2)13-17(21)15-10-9-11-16(12-15)19-14(3)20(5)6/h9-12,17,21H,7-8,13H2,1-6H3/b19-14+.
What are the key properties of N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide?
N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide has a molecular weight of 290.45 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(3-ethyl-1-hydroxy-3-methylpentyl)phenyl]-N,N-dimethylethanimidamide is sourced from PubChem (CID 58910211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).