2-[(1S)-1-aminopropyl]decanamide

C13H28N2O — CID 89316918

IUPAC2-[(1S)-1-aminopropyl]decanamide
SMILESCCCCCCCCC(C(N)=O)[C@@H](N)CC
InChIInChI=1S/C13H28N2O/c1-3-5-6-7-8-9-10-11(13(15)16)12(14)4-2/h11-12H,3-10,14H2,1-2H3,(H2,15,16)/t11?,12-/m0/s1
InChIKeyJMGKQOMMDRYCJI-KIYNQFGBSA-N
MW228.38 g/mol
LogP2.58
Rot. Bonds10

About 2-[(1S)-1-aminopropyl]decanamide

2-[(1S)-1-aminopropyl]decanamide (PubChem CID 89316918) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-[(1S)-1-aminopropyl]decanamide.

Molecular Properties

Compound Name2-[(1S)-1-aminopropyl]decanamide
PubChem CID89316918
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-[(1S)-1-aminopropyl]decanamide
SMILESCCCCCCCCC(C(N)=O)[C@@H](N)CC
InChIInChI=1S/C13H28N2O/c1-3-5-6-7-8-9-10-11(13(15)16)12(14)4-2/h11-12H,3-10,14H2,1-2H3,(H2,15,16)/t11?,12-/m0/s1
InChIKeyJMGKQOMMDRYCJI-KIYNQFGBSA-N
XLogP2.58
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 52.58
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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Related Compounds

(2R)-2-[(1R)-1-aminopropyl]heptanoic acid
CID 118230751
2-(1-aminoethyl)hexadecanamide
CID 18355676
3-methyl-2-tetradecylhenicosanamide
CID 175222412
2-amino-4-carbamoyl-3-octadecyldocosanoic acid
CID 174616546
2-aminododecanamide;hydrochloride
CID 14881390
2-carbamoylhexadecanoic acid
CID 172818471
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
azane;2-ethyldodecanamide
CID 174462460
3-formyl-2-pentyloctanamide
CID 174696603
2-ethyl-3-(fluoromethyl)octanamide
CID 173440200

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-aminopropyl]decanamide?
The IUPAC name of 2-[(1S)-1-aminopropyl]decanamide (CID 89316918) is 2-[(1S)-1-aminopropyl]decanamide.
What is the SMILES notation for 2-[(1S)-1-aminopropyl]decanamide?
The canonical SMILES for 2-[(1S)-1-aminopropyl]decanamide is CCCCCCCCC(C(N)=O)[C@@H](N)CC.
What is the InChIKey of 2-[(1S)-1-aminopropyl]decanamide?
The InChIKey is JMGKQOMMDRYCJI-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-5-6-7-8-9-10-11(13(15)16)12(14)4-2/h11-12H,3-10,14H2,1-2H3,(H2,15,16)/t11?,12-/m0/s1.
What are the key properties of 2-[(1S)-1-aminopropyl]decanamide?
2-[(1S)-1-aminopropyl]decanamide has a molecular weight of 228.38 g/mol, XLogP of 2.58, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-aminopropyl]decanamide is sourced from PubChem (CID 89316918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).