N-[5-(hexylamino)pentyl]acetamide

C13H28N2O — CID 58435564

IUPACN-[5-(hexylamino)pentyl]acetamide
SMILESCCCCCCNCCCCCNC(C)=O
InChIInChI=1S/C13H28N2O/c1-3-4-5-7-10-14-11-8-6-9-12-15-13(2)16/h14H,3-12H2,1-2H3,(H,15,16)
InChIKeyZLSYFNQSVNJTBB-UHFFFAOYSA-N
MW228.38 g/mol
LogP2.46
Rot. Bonds11

About N-[5-(hexylamino)pentyl]acetamide

N-[5-(hexylamino)pentyl]acetamide (PubChem CID 58435564) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[5-(hexylamino)pentyl]acetamide.

Molecular Properties

Compound NameN-[5-(hexylamino)pentyl]acetamide
PubChem CID58435564
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[5-(hexylamino)pentyl]acetamide
SMILESCCCCCCNCCCCCNC(C)=O
InChIInChI=1S/C13H28N2O/c1-3-4-5-7-10-14-11-8-6-9-12-15-13(2)16/h14H,3-12H2,1-2H3,(H,15,16)
InChIKeyZLSYFNQSVNJTBB-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-[5-(hexylamino)pentyl]acetamide?
The IUPAC name of N-[5-(hexylamino)pentyl]acetamide (CID 58435564) is N-[5-(hexylamino)pentyl]acetamide.
What is the SMILES notation for N-[5-(hexylamino)pentyl]acetamide?
The canonical SMILES for N-[5-(hexylamino)pentyl]acetamide is CCCCCCNCCCCCNC(C)=O.
What is the InChIKey of N-[5-(hexylamino)pentyl]acetamide?
The InChIKey is ZLSYFNQSVNJTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-4-5-7-10-14-11-8-6-9-12-15-13(2)16/h14H,3-12H2,1-2H3,(H,15,16).
What are the key properties of N-[5-(hexylamino)pentyl]acetamide?
N-[5-(hexylamino)pentyl]acetamide has a molecular weight of 228.38 g/mol, XLogP of 2.46, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hexylamino)pentyl]acetamide is sourced from PubChem (CID 58435564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).