(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride

C11H25Cl2N3O — CID 119859211

IUPAC(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(C1CC1)N(C)C.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-4-9(12)11(15)13-7-10(14(2)3)8-5-6-8;;/h8-10H,4-7,12H2,1-3H3,(H,13,15);2*1H/t9-,10?;;/m0../s1
InChIKeyKFRQTQAONZFHTE-NSBDLEMJSA-N
MW286.25 g/mol
LogP1.02
Rot. Bonds6

About (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride

(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride (PubChem CID 119859211) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride
PubChem CID119859211
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride
SMILESCC[C@H](N)C(=O)NCC(C1CC1)N(C)C.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-4-9(12)11(15)13-7-10(14(2)3)8-5-6-8;;/h8-10H,4-7,12H2,1-3H3,(H,13,15);2*1H/t9-,10?;;/m0../s1
InChIKeyKFRQTQAONZFHTE-NSBDLEMJSA-N
XLogP1.02
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.02
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-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride (CID 119859211) is (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride is CC[C@H](N)C(=O)NCC(C1CC1)N(C)C.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride?
The InChIKey is KFRQTQAONZFHTE-NSBDLEMJSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-4-9(12)11(15)13-7-10(14(2)3)8-5-6-8;;/h8-10H,4-7,12H2,1-3H3,(H,13,15);2*1H/t9-,10?;;/m0../s1.
What are the key properties of (2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride?
(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.02, 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-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119859211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).