2-(undecan-6-ylamino)propanamide

C14H30N2O — CID 43777100

IUPAC2-(undecan-6-ylamino)propanamide
SMILESCCCCCC(CCCCC)NC(C)C(N)=O
InChIInChI=1S/C14H30N2O/c1-4-6-8-10-13(11-9-7-5-2)16-12(3)14(15)17/h12-13,16H,4-11H2,1-3H3,(H2,15,17)
InChIKeyGYPBQZOJDPIWME-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.98
Rot. Bonds11

About 2-(undecan-6-ylamino)propanamide

2-(undecan-6-ylamino)propanamide (PubChem CID 43777100) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 2-(undecan-6-ylamino)propanamide.

Molecular Properties

Compound Name2-(undecan-6-ylamino)propanamide
PubChem CID43777100
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name2-(undecan-6-ylamino)propanamide
SMILESCCCCCC(CCCCC)NC(C)C(N)=O
InChIInChI=1S/C14H30N2O/c1-4-6-8-10-13(11-9-7-5-2)16-12(3)14(15)17/h12-13,16H,4-11H2,1-3H3,(H2,15,17)
InChIKeyGYPBQZOJDPIWME-UHFFFAOYSA-N
XLogP2.98
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.98
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

2-(octan-4-ylamino)propanamide
CID 103776431
methyl (2S)-2-(heptan-3-ylamino)propanoate
CID 63944927
N-carbamoyl-2-(octan-4-ylamino)propanamide
CID 113249809
2-methylheptanamide;2-methylhexanamide
CID 160718848
1-(decan-5-ylamino)ethanol
CID 174223267
3-methyl-2-tetradecylhenicosanamide
CID 175222412
(2R)-2-(undecan-6-ylamino)propan-1-ol
CID 114987067
2-hexyloctanamide
CID 87302701
N-propan-2-yldodecan-5-amine
CID 79412905
N-propan-2-ylheptadecan-5-amine
CID 79412665
N-propan-2-yltridecan-5-amine
CID 79413155
2-octyldecanamide
CID 19104479

Frequently Asked Questions

What is the IUPAC name of 2-(undecan-6-ylamino)propanamide?
The IUPAC name of 2-(undecan-6-ylamino)propanamide (CID 43777100) is 2-(undecan-6-ylamino)propanamide.
What is the SMILES notation for 2-(undecan-6-ylamino)propanamide?
The canonical SMILES for 2-(undecan-6-ylamino)propanamide is CCCCCC(CCCCC)NC(C)C(N)=O.
What is the InChIKey of 2-(undecan-6-ylamino)propanamide?
The InChIKey is GYPBQZOJDPIWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-6-8-10-13(11-9-7-5-2)16-12(3)14(15)17/h12-13,16H,4-11H2,1-3H3,(H2,15,17).
What are the key properties of 2-(undecan-6-ylamino)propanamide?
2-(undecan-6-ylamino)propanamide has a molecular weight of 242.41 g/mol, XLogP of 2.98, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(undecan-6-ylamino)propanamide is sourced from PubChem (CID 43777100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).