(2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide

C12H24N2O — CID 135143618

IUPAC(2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide
SMILESCCCC/C=N/[C@@H](CC(C)C)C(=O)NC
InChIInChI=1S/C12H24N2O/c1-5-6-7-8-14-11(9-10(2)3)12(15)13-4/h8,10-11H,5-7,9H2,1-4H3,(H,13,15)/b14-8+/t11-/m0/s1
InChIKeyWCHXQYBAVRHTBP-KYJZABPNSA-N
MW212.34 g/mol
LogP2.41
Rot. Bonds7

About (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide

(2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide (PubChem CID 135143618) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide.

Molecular Properties

Compound Name(2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide
PubChem CID135143618
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide
SMILESCCCC/C=N/[C@@H](CC(C)C)C(=O)NC
InChIInChI=1S/C12H24N2O/c1-5-6-7-8-14-11(9-10(2)3)12(15)13-4/h8,10-11H,5-7,9H2,1-4H3,(H,13,15)/b14-8+/t11-/m0/s1
InChIKeyWCHXQYBAVRHTBP-KYJZABPNSA-N
XLogP2.41
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide?
The IUPAC name of (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide (CID 135143618) is (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide.
What is the SMILES notation for (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide?
The canonical SMILES for (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide is CCCC/C=N/[C@@H](CC(C)C)C(=O)NC.
What is the InChIKey of (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide?
The InChIKey is WCHXQYBAVRHTBP-KYJZABPNSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-6-7-8-14-11(9-10(2)3)12(15)13-4/h8,10-11H,5-7,9H2,1-4H3,(H,13,15)/b14-8+/t11-/m0/s1.
What are the key properties of (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide?
(2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide has a molecular weight of 212.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,4-dimethyl-2-(pentylideneamino)pentanamide is sourced from PubChem (CID 135143618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).