N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide

C10H19N3 — CID 59463988

IUPACN-cyano-N'-(4,4-dimethylpentyl)ethanimidamide
SMILESC/C(=N\CCCC(C)(C)C)NC#N
InChIInChI=1S/C10H19N3/c1-9(13-8-11)12-7-5-6-10(2,3)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyGQQKNJGKVKLGOR-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.30
Rot. Bonds3

About N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide

N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide (PubChem CID 59463988) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide.

Molecular Properties

Compound NameN-cyano-N'-(4,4-dimethylpentyl)ethanimidamide
PubChem CID59463988
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-cyano-N'-(4,4-dimethylpentyl)ethanimidamide
SMILESC/C(=N\CCCC(C)(C)C)NC#N
InChIInChI=1S/C10H19N3/c1-9(13-8-11)12-7-5-6-10(2,3)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyGQQKNJGKVKLGOR-UHFFFAOYSA-N
XLogP2.30
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'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-cyano-N'-(4,4-dimethylpentyl)ethanimidamide?
The IUPAC name of N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide (CID 59463988) is N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide.
What is the SMILES notation for N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide?
The canonical SMILES for N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide is C/C(=N\CCCC(C)(C)C)NC#N.
What is the InChIKey of N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide?
The InChIKey is GQQKNJGKVKLGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(13-8-11)12-7-5-6-10(2,3)4/h5-7H2,1-4H3,(H,12,13).
What are the key properties of N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide?
N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide has a molecular weight of 181.28 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-N'-(4,4-dimethylpentyl)ethanimidamide is sourced from PubChem (CID 59463988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).