pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate

C12H25N3O3 — CID 166684302

IUPACpentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate
SMILESCCCCCOC(=O)NC(=O)CN(C)CCNC
InChIInChI=1S/C12H25N3O3/c1-4-5-6-9-18-12(17)14-11(16)10-15(3)8-7-13-2/h13H,4-10H2,1-3H3,(H,14,16,17)
InChIKeyTZPHFYFSIPZPNH-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.58
Rot. Bonds9

About pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate

pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate (PubChem CID 166684302) has the molecular formula C12H25N3O3 and a molecular weight of 259.35 g/mol. Its IUPAC name is pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate.

Molecular Properties

Compound Namepentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate
PubChem CID166684302
Molecular FormulaC12H25N3O3
Molecular Weight259.35 g/mol
Exact Mass259.19
IUPAC Namepentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate
SMILESCCCCCOC(=O)NC(=O)CN(C)CCNC
InChIInChI=1S/C12H25N3O3/c1-4-5-6-9-18-12(17)14-11(16)10-15(3)8-7-13-2/h13H,4-10H2,1-3H3,(H,14,16,17)
InChIKeyTZPHFYFSIPZPNH-UHFFFAOYSA-N
XLogP0.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate?
The IUPAC name of pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate (CID 166684302) is pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate.
What is the SMILES notation for pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate?
The canonical SMILES for pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate is CCCCCOC(=O)NC(=O)CN(C)CCNC.
What is the InChIKey of pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate?
The InChIKey is TZPHFYFSIPZPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3/c1-4-5-6-9-18-12(17)14-11(16)10-15(3)8-7-13-2/h13H,4-10H2,1-3H3,(H,14,16,17).
What are the key properties of pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate?
pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 0.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl N-[2-[methyl-[2-(methylamino)ethyl]amino]acetyl]carbamate is sourced from PubChem (CID 166684302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).