N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide

C8H17N3O — CID 146205581

IUPACN,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide
SMILESC=NN(CC(=O)N(C)C)C(C)C
InChIInChI=1S/C8H17N3O/c1-7(2)11(9-3)6-8(12)10(4)5/h7H,3,6H2,1-2,4-5H3
InChIKeyQZMZVJUZHQAKAI-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.40
Rot. Bonds4

About N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide

N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide (PubChem CID 146205581) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide
PubChem CID146205581
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide
SMILESC=NN(CC(=O)N(C)C)C(C)C
InChIInChI=1S/C8H17N3O/c1-7(2)11(9-3)6-8(12)10(4)5/h7H,3,6H2,1-2,4-5H3
InChIKeyQZMZVJUZHQAKAI-UHFFFAOYSA-N
XLogP0.40
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide (CID 146205581) is N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide is C=NN(CC(=O)N(C)C)C(C)C.
What is the InChIKey of N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide?
The InChIKey is QZMZVJUZHQAKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-7(2)11(9-3)6-8(12)10(4)5/h7H,3,6H2,1-2,4-5H3.
What are the key properties of N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide?
N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(methylideneamino)-propan-2-ylamino]acetamide is sourced from PubChem (CID 146205581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).