3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide

C10H22N2O3 — CID 81079264

IUPAC3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(O)COC
InChIInChI=1S/C10H22N2O3/c1-3-8(5-11)4-10(14)12-6-9(13)7-15-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyNWTHCTPLEQCXNQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.52
Rot. Bonds8

About 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide

3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide (PubChem CID 81079264) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide
PubChem CID81079264
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide
SMILESCCC(CN)CC(=O)NCC(O)COC
InChIInChI=1S/C10H22N2O3/c1-3-8(5-11)4-10(14)12-6-9(13)7-15-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14)
InChIKeyNWTHCTPLEQCXNQ-UHFFFAOYSA-N
XLogP-0.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide?
The IUPAC name of 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide (CID 81079264) is 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide is CCC(CN)CC(=O)NCC(O)COC.
What is the InChIKey of 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide?
The InChIKey is NWTHCTPLEQCXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-3-8(5-11)4-10(14)12-6-9(13)7-15-2/h8-9,13H,3-7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide?
3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide has a molecular weight of 218.30 g/mol, XLogP of -0.52, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-hydroxy-3-methoxypropyl)pentanamide is sourced from PubChem (CID 81079264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).