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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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-sulfanylpropanamide
CID 107024837
(2R)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylpropanamide
CID 78972200
[(3S)-3-[[2-(dimethylamino)-2-oxoethyl]-[(Z)-ethylideneamino]amino]butan-2-yl]carbamic acid
CID 172988820
methane;N,N,4-trimethylpentanamide
CID 160907901
2-[ethyl-[(2R)-1-ethylsulfonylpropan-2-yl]amino]-N,N-dimethylacetamide
CID 96538913
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethylbutanamide
CID 80542443
N,N-dimethyl-2-propan-2-ylsulfonylacetamide
CID 146498808
N,N,3-trimethylpent-4-enamide
CID 10654310
2-(dimethylamino)-N,N-di(propan-2-yl)acetamide
CID 15050138
N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 60854503
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N,3-dimethylbutanamide;hydrochloride
CID 119270119

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).