N-[(2R)-1-aminopropan-2-yl]nonanamide

C12H26N2O — CID 104873041

IUPACN-[(2R)-1-aminopropan-2-yl]nonanamide
SMILESCCCCCCCCC(=O)N[C@H](C)CN
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-8-9-12(15)14-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyBXHOOOYKRFNKQY-LLVKDONJSA-N
MW214.35 g/mol
LogP2.20
Rot. Bonds9

About N-[(2R)-1-aminopropan-2-yl]nonanamide

N-[(2R)-1-aminopropan-2-yl]nonanamide (PubChem CID 104873041) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[(2R)-1-aminopropan-2-yl]nonanamide.

Molecular Properties

Compound NameN-[(2R)-1-aminopropan-2-yl]nonanamide
PubChem CID104873041
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[(2R)-1-aminopropan-2-yl]nonanamide
SMILESCCCCCCCCC(=O)N[C@H](C)CN
InChIInChI=1S/C12H26N2O/c1-3-4-5-6-7-8-9-12(15)14-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15)/t11-/m1/s1
InChIKeyBXHOOOYKRFNKQY-LLVKDONJSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.20
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

N-(4-aminobutan-2-yl)octanamide
CID 62087208
N-pentan-2-ylundecanamide
CID 173258559
N-butan-2-ylhexacosanamide
CID 163047877
N-octadecan-2-ylhexadecanamide
CID 87600664
N-butan-2-ylnonanamide
CID 4188803
N-heptan-2-yldodecanamide
CID 3484810
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
N-(1,2-diaminoethyl)heptanamide
CID 164724851
3-(heptanoylamino)butanoic acid
CID 43360958
3-amino-2-(hexadecanoylamino)propanoic acid
CID 155315524
5-amino-N-heptan-2-yl-4-methylpentanamide
CID 82012192

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-aminopropan-2-yl]nonanamide?
The IUPAC name of N-[(2R)-1-aminopropan-2-yl]nonanamide (CID 104873041) is N-[(2R)-1-aminopropan-2-yl]nonanamide.
What is the SMILES notation for N-[(2R)-1-aminopropan-2-yl]nonanamide?
The canonical SMILES for N-[(2R)-1-aminopropan-2-yl]nonanamide is CCCCCCCCC(=O)N[C@H](C)CN.
What is the InChIKey of N-[(2R)-1-aminopropan-2-yl]nonanamide?
The InChIKey is BXHOOOYKRFNKQY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H26N2O/c1-3-4-5-6-7-8-9-12(15)14-11(2)10-13/h11H,3-10,13H2,1-2H3,(H,14,15)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-aminopropan-2-yl]nonanamide?
N-[(2R)-1-aminopropan-2-yl]nonanamide has a molecular weight of 214.35 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-aminopropan-2-yl]nonanamide is sourced from PubChem (CID 104873041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).