(2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide

C10H21N3O — CID 58735039

IUPAC(2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide
SMILESC/C(N)=N\CCC[C@H](C)C(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-8(10(14)13(3)4)6-5-7-12-9(2)11/h8H,5-7H2,1-4H3,(H2,11,12)/t8-/m0/s1
InChIKeySAPWRYCXDRYYHS-QMMMGPOBSA-N
MW199.30 g/mol
LogP0.87
Rot. Bonds5

About (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide

(2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide (PubChem CID 58735039) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide.

Molecular Properties

Compound Name(2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide
PubChem CID58735039
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide
SMILESC/C(N)=N\CCC[C@H](C)C(=O)N(C)C
InChIInChI=1S/C10H21N3O/c1-8(10(14)13(3)4)6-5-7-12-9(2)11/h8H,5-7H2,1-4H3,(H2,11,12)/t8-/m0/s1
InChIKeySAPWRYCXDRYYHS-QMMMGPOBSA-N
XLogP0.87
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.87
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'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide?
The IUPAC name of (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide (CID 58735039) is (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide.
What is the SMILES notation for (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide?
The canonical SMILES for (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide is C/C(N)=N\CCC[C@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide?
The InChIKey is SAPWRYCXDRYYHS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(10(14)13(3)4)6-5-7-12-9(2)11/h8H,5-7H2,1-4H3,(H2,11,12)/t8-/m0/s1.
What are the key properties of (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide?
(2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide has a molecular weight of 199.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(1-aminoethylideneamino)-N,N,2-trimethylpentanamide is sourced from PubChem (CID 58735039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).