2-(1-aminobutylideneamino)-N,N-dimethylacetamide

C8H17N3O — CID 63175648

IUPAC2-(1-aminobutylideneamino)-N,N-dimethylacetamide
SMILESCCC/C(N)=N\CC(=O)N(C)C
InChIInChI=1S/C8H17N3O/c1-4-5-7(9)10-6-8(12)11(2)3/h4-6H2,1-3H3,(H2,9,10)
InChIKeyANSMDQOPTOJQOC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.23
Rot. Bonds4

About 2-(1-aminobutylideneamino)-N,N-dimethylacetamide

2-(1-aminobutylideneamino)-N,N-dimethylacetamide (PubChem CID 63175648) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(1-aminobutylideneamino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1-aminobutylideneamino)-N,N-dimethylacetamide
PubChem CID63175648
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(1-aminobutylideneamino)-N,N-dimethylacetamide
SMILESCCC/C(N)=N\CC(=O)N(C)C
InChIInChI=1S/C8H17N3O/c1-4-5-7(9)10-6-8(12)11(2)3/h4-6H2,1-3H3,(H2,9,10)
InChIKeyANSMDQOPTOJQOC-UHFFFAOYSA-N
XLogP0.23
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.23
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

2-(1-Aminobutylideneamino)acetamide
CID 63173813
2-[[(2S)-1-amino-2-(dimethylamino)-3-methylbutylidene]amino]-N,N-dimethylacetamide
CID 126663191
2-[(1-amino-3,3-dimethylbutylidene)amino]-N-methylacetamide
CID 166730048
2-(1-aminoethylideneamino)-N,N-dimethylacetamide
CID 63173235
2-(1-aminopropylideneamino)-N-propylacetamide
CID 63175415
2-(1-aminobutylideneamino)-N-propylacetamide
CID 63175416
2-(1-aminopropylideneamino)-N,N-dimethylacetamide
CID 63175647
2-[(1-amino-2-methylpropylidene)amino]-N,N-dimethylacetamide
CID 63175649
2-[[amino(cyclopropyl)methylidene]amino]-N,N-dimethylacetamide
CID 63175650
2-[(1-amino-2,2-dimethylpropylidene)amino]-N,N-dimethylacetamide
CID 63175712
N-[2-(1-aminobutylideneamino)ethyl]acetamide
CID 63175724
2-(1-aminopropylideneamino)-N-methylacetamide
CID 63175769

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutylideneamino)-N,N-dimethylacetamide?
The IUPAC name of 2-(1-aminobutylideneamino)-N,N-dimethylacetamide (CID 63175648) is 2-(1-aminobutylideneamino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1-aminobutylideneamino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1-aminobutylideneamino)-N,N-dimethylacetamide is CCC/C(N)=N\CC(=O)N(C)C.
What is the InChIKey of 2-(1-aminobutylideneamino)-N,N-dimethylacetamide?
The InChIKey is ANSMDQOPTOJQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-5-7(9)10-6-8(12)11(2)3/h4-6H2,1-3H3,(H2,9,10).
What are the key properties of 2-(1-aminobutylideneamino)-N,N-dimethylacetamide?
2-(1-aminobutylideneamino)-N,N-dimethylacetamide has a molecular weight of 171.24 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutylideneamino)-N,N-dimethylacetamide is sourced from PubChem (CID 63175648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).