2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine

C7H11N3 — CID 18739549

IUPAC2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine
SMILES[C-]#[N+]CCN(C)CC[N+]#[C-]
InChIInChI=1S/C7H11N3/c1-8-4-6-10(3)7-5-9-2/h4-7H2,3H3
InChIKeyWMLXQJWRBBNKEM-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.76
Rot. Bonds4

About 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine

2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine (PubChem CID 18739549) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine.

Molecular Properties

Compound Name2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine
PubChem CID18739549
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine
SMILES[C-]#[N+]CCN(C)CC[N+]#[C-]
InChIInChI=1S/C7H11N3/c1-8-4-6-10(3)7-5-9-2/h4-7H2,3H3
InChIKeyWMLXQJWRBBNKEM-UHFFFAOYSA-N
XLogP0.76
TPSA11.96 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-(2-isocyanoethyl)propan-1-amine
CID 66523943
2-[2-acetyloxyethyl(2-isocyanoethyl)amino]ethyl acetate
CID 59709599
N-(2-isocyanoethyl)-N-methyl-1-(1-methylcyclohexyl)piperidin-4-amine
CID 91584399
N,N'-dimethyl-N'-[2-[methyl(propyl)amino]ethyl]-N-propylethane-1,2-diamine
CID 162082787
2-[methyl(2-oxidoethyl)amino]ethanolate
CID 102469150
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
N-[[di(propan-2-yl)amino]-(2-isocyanoethyl)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 140710208
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
N,N'-bis(2-azidoethyl)-N,N'-dimethylethane-1,2-diamine
CID 91379196
1-isocyano-3-methylpentane
CID 71472959
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219
2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine?
The IUPAC name of 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine (CID 18739549) is 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine.
What is the SMILES notation for 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine?
The canonical SMILES for 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine is [C-]#[N+]CCN(C)CC[N+]#[C-].
What is the InChIKey of 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine?
The InChIKey is WMLXQJWRBBNKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-8-4-6-10(3)7-5-9-2/h4-7H2,3H3.
What are the key properties of 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine?
2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine has a molecular weight of 137.19 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-N-(2-isocyanoethyl)-N-methylethanamine is sourced from PubChem (CID 18739549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).