(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide

C10H23N3O — CID 22690995

IUPAC(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCN(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)7-9(11)10(14)12-5-6-13(3)4/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyDASSCNBCNOVUIY-VIFPVBQESA-N
MW201.31 g/mol
LogP0.04
Rot. Bonds6

About (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide

(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide (PubChem CID 22690995) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
PubChem CID22690995
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide
SMILESCC(C)C[C@H](N)C(=O)NCCN(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)7-9(11)10(14)12-5-6-13(3)4/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1
InChIKeyDASSCNBCNOVUIY-VIFPVBQESA-N
XLogP0.04
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide (CID 22690995) is (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide is CC(C)C[C@H](N)C(=O)NCCN(C)C.
What is the InChIKey of (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide?
The InChIKey is DASSCNBCNOVUIY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)7-9(11)10(14)12-5-6-13(3)4/h8-9H,5-7,11H2,1-4H3,(H,12,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide?
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide has a molecular weight of 201.31 g/mol, XLogP of 0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-(dimethylamino)ethyl]-4-methylpentanamide is sourced from PubChem (CID 22690995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).