N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide

C14H28N4O3 — CID 110036817

IUPACN,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCCC1(C)OCCO1
InChIInChI=1S/C14H28N4O3/c1-5-7-15-13(17-11-12(19)18(3)4)16-8-6-14(2)20-9-10-21-14/h5-11H2,1-4H3,(H2,15,16,17)
InChIKeyMBESJSHJBZBOJF-UHFFFAOYSA-N
MW300.40 g/mol
LogP0.17
Rot. Bonds7

About N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide

N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide (PubChem CID 110036817) has the molecular formula C14H28N4O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide
PubChem CID110036817
Molecular FormulaC14H28N4O3
Molecular Weight300.40 g/mol
Exact Mass300.22
IUPAC NameN,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide
SMILESCCCN/C(=N\CC(=O)N(C)C)NCCC1(C)OCCO1
InChIInChI=1S/C14H28N4O3/c1-5-7-15-13(17-11-12(19)18(3)4)16-8-6-14(2)20-9-10-21-14/h5-11H2,1-4H3,(H2,15,16,17)
InChIKeyMBESJSHJBZBOJF-UHFFFAOYSA-N
XLogP0.17
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2-methoxyethylamino)-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110036815
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(oxolan-3-ylmethylamino)methylidene]amino]acetamide;hydroiodide
CID 110033408
N,N-dimethyl-2-[[[(2-methyloxolan-2-yl)methylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110045148
1-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-propylurea
CID 110359336
2-[[(hexylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111767530
N,N-dimethyl-2-[[(oxan-2-ylmethylamino)-(propylamino)methylidene]amino]acetamide
CID 111777536
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide
CID 110037267
2-[[(butan-2-ylamino)-(propylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111492032
N,N-dimethyl-2-[[(3-methylbutan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 110037266
2-[[butylamino(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111150712
N,N-dimethyl-2-[[[3-(oxolan-2-ylmethoxy)propylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111777483

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide (CID 110036817) is N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide is CCCN/C(=N\CC(=O)N(C)C)NCCC1(C)OCCO1.
What is the InChIKey of N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide?
The InChIKey is MBESJSHJBZBOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O3/c1-5-7-15-13(17-11-12(19)18(3)4)16-8-6-14(2)20-9-10-21-14/h5-11H2,1-4H3,(H2,15,16,17).
What are the key properties of N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide?
N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide has a molecular weight of 300.40 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-(propylamino)methylidene]amino]acetamide is sourced from PubChem (CID 110036817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).