3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide

C12H24N2O3 — CID 114170265

IUPAC3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
SMILESCCCC(N)CC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-2-3-10(13)8-11(16)14-12(9-15)4-6-17-7-5-12/h10,15H,2-9,13H2,1H3,(H,14,16)
InChIKeyYTDIVDQXXPGOFV-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.16
Rot. Bonds6

About 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide

3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide (PubChem CID 114170265) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide.

Molecular Properties

Compound Name3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
PubChem CID114170265
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide
SMILESCCCC(N)CC(=O)NC1(CO)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-2-3-10(13)8-11(16)14-12(9-15)4-6-17-7-5-12/h10,15H,2-9,13H2,1H3,(H,14,16)
InChIKeyYTDIVDQXXPGOFV-UHFFFAOYSA-N
XLogP0.16
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
The IUPAC name of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide (CID 114170265) is 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide.
What is the SMILES notation for 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
The canonical SMILES for 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide is CCCC(N)CC(=O)NC1(CO)CCOCC1.
What is the InChIKey of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
The InChIKey is YTDIVDQXXPGOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-2-3-10(13)8-11(16)14-12(9-15)4-6-17-7-5-12/h10,15H,2-9,13H2,1H3,(H,14,16).
What are the key properties of 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide?
3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide has a molecular weight of 244.33 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(hydroxymethyl)oxan-4-yl]hexanamide is sourced from PubChem (CID 114170265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).