2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide

C8H19N3O2 — CID 63760118

IUPAC2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(N)COC
InChIInChI=1S/C8H19N3O2/c1-10-8(12)5-11(2)4-7(9)6-13-3/h7H,4-6,9H2,1-3H3,(H,10,12)
InChIKeyBFTSLANQBKDERJ-UHFFFAOYSA-N
MW189.26 g/mol
LogP-1.36
Rot. Bonds6

About 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide

2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide (PubChem CID 63760118) has the molecular formula C8H19N3O2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide
PubChem CID63760118
Molecular FormulaC8H19N3O2
Molecular Weight189.26 g/mol
Exact Mass189.15
IUPAC Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)CC(N)COC
InChIInChI=1S/C8H19N3O2/c1-10-8(12)5-11(2)4-7(9)6-13-3/h7H,4-6,9H2,1-3H3,(H,10,12)
InChIKeyBFTSLANQBKDERJ-UHFFFAOYSA-N
XLogP-1.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide (CID 63760118) is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide is CNC(=O)CN(C)CC(N)COC.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide?
The InChIKey is BFTSLANQBKDERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2/c1-10-8(12)5-11(2)4-7(9)6-13-3/h7H,4-6,9H2,1-3H3,(H,10,12).
What are the key properties of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide?
2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide has a molecular weight of 189.26 g/mol, XLogP of -1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-methylacetamide is sourced from PubChem (CID 63760118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).