N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide

C8H17N3O — CID 146735988

IUPACN,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide
SMILES[H]/N=C(\CC)N(C)CC(=O)N(C)C
InChIInChI=1S/C8H17N3O/c1-5-7(9)11(4)6-8(12)10(2)3/h9H,5-6H2,1-4H3/b9-7+
InChIKeyRJDYYTFHHPNBNH-VQHVLOKHSA-N
MW171.24 g/mol
LogP0.39
Rot. Bonds3

About N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide

N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide (PubChem CID 146735988) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide
PubChem CID146735988
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide
SMILES[H]/N=C(\CC)N(C)CC(=O)N(C)C
InChIInChI=1S/C8H17N3O/c1-5-7(9)11(4)6-8(12)10(2)3/h9H,5-6H2,1-4H3/b9-7+
InChIKeyRJDYYTFHHPNBNH-VQHVLOKHSA-N
XLogP0.39
TPSA47.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.39
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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Related Compounds

N-methyl-N-propylpropanimidamide
CID 63176074
N-(2,2-dimethylpropyl)-N-methylpropanimidamide
CID 63177754
N-methyl-N-prop-2-ynylpropanimidamide
CID 143160706
N-amino-N-methylpropanimidamide
CID 123454598
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216
N-methyl-N-[3-(methylamino)propyl]propanimidamide
CID 87549397
2-[bis(2-hydroxyethyl)amino]-N,N-dimethylacetamide
CID 60686826
2-[3-aminopropyl(propyl)amino]-N,N-dimethylacetamide
CID 43137311
ethyl 2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoacetate
CID 60895023
N-(3-aminopropyl)-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]-N-methylpropanamide
CID 43588549
N-[2-(dimethylamino)-2-oxoethyl]-N,3,3-trimethylpentanamide
CID 130272423
ethane;2-[methyl(propanoyl)amino]acetic acid
CID 170570723

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide (CID 146735988) is N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide is [H]/N=C(\CC)N(C)CC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide?
The InChIKey is RJDYYTFHHPNBNH-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17N3O/c1-5-7(9)11(4)6-8(12)10(2)3/h9H,5-6H2,1-4H3/b9-7+.
What are the key properties of N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide?
N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide has a molecular weight of 171.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[methyl(propanimidoyl)amino]acetamide is sourced from PubChem (CID 146735988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).