3-(2-aminoethylamino)-N,N-dimethylpropanamide

C7H17N3O — CID 62141656

IUPAC3-(2-aminoethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCCN
InChIInChI=1S/C7H17N3O/c1-10(2)7(11)3-5-9-6-4-8/h9H,3-6,8H2,1-2H3
InChIKeyCFEORHRYBCMWSQ-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.99
Rot. Bonds5

About 3-(2-aminoethylamino)-N,N-dimethylpropanamide

3-(2-aminoethylamino)-N,N-dimethylpropanamide (PubChem CID 62141656) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2-aminoethylamino)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2-aminoethylamino)-N,N-dimethylpropanamide
PubChem CID62141656
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name3-(2-aminoethylamino)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNCCN
InChIInChI=1S/C7H17N3O/c1-10(2)7(11)3-5-9-6-4-8/h9H,3-6,8H2,1-2H3
InChIKeyCFEORHRYBCMWSQ-UHFFFAOYSA-N
XLogP-0.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
3-(but-3-ynylamino)-N,N-dimethylpropanamide
CID 63656065
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
CID 107441879
3-(hex-5-ynylamino)-N,N-dimethylpropanamide
CID 106211989
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
4-(ethylamino)-N,N-dimethylbutanamide
CID 3024993
N'-(2-aminoethyl)ethane-1,2-diamine;bis(butanedioic acid)
CID 87573177
acetic acid;N'-[2-[2-(2-aminoethylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 159794226
acetic acid;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 30081
acetamide;N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine
CID 140516466
N,N-dimethyl-4-(2-methylsulfanylethylamino)butanamide
CID 63965989
3-[[2-(ethylamino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
CID 60961205

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethylamino)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2-aminoethylamino)-N,N-dimethylpropanamide (CID 62141656) is 3-(2-aminoethylamino)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2-aminoethylamino)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2-aminoethylamino)-N,N-dimethylpropanamide is CN(C)C(=O)CCNCCN.
What is the InChIKey of 3-(2-aminoethylamino)-N,N-dimethylpropanamide?
The InChIKey is CFEORHRYBCMWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-10(2)7(11)3-5-9-6-4-8/h9H,3-6,8H2,1-2H3.
What are the key properties of 3-(2-aminoethylamino)-N,N-dimethylpropanamide?
3-(2-aminoethylamino)-N,N-dimethylpropanamide has a molecular weight of 159.23 g/mol, XLogP of -0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethylamino)-N,N-dimethylpropanamide is sourced from PubChem (CID 62141656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).