(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride

C12H27Cl2N3O — CID 119863863

IUPAC(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCN(CCNC(=O)[C@@H](N)C(C)(C)C)C1CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-12(2,3)10(13)11(16)14-7-8-15(4)9-5-6-9;;/h9-10H,5-8,13H2,1-4H3,(H,14,16);2*1H/t10-;;/m1../s1
InChIKeyGHUUKOVHVUFJLL-YQFADDPSSA-N
MW300.27 g/mol
LogP1.41
Rot. Bonds5

About (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride

(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride (PubChem CID 119863863) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
PubChem CID119863863
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride
SMILESCN(CCNC(=O)[C@@H](N)C(C)(C)C)C1CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-12(2,3)10(13)11(16)14-7-8-15(4)9-5-6-9;;/h9-10H,5-8,13H2,1-4H3,(H,14,16);2*1H/t10-;;/m1../s1
InChIKeyGHUUKOVHVUFJLL-YQFADDPSSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide
CID 76979692
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]pentanamide
CID 107569640
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2,2-dimethylpropanamide;dihydrochloride
CID 119863852
(2S,3S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylpentanamide
CID 62975934
(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
CID 103929839
2-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbutanamide
CID 55139681
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
6-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-2-methylheptanamide
CID 65291228
2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 62059016
2-[tert-butyl-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]amino]acetic acid
CID 79256527
3-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953402
(2R)-2-amino-N-(3-cyclopropylpropyl)-3,3-dimethylbutanamide
CID 104876667

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride (CID 119863863) is (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride is CN(CCNC(=O)[C@@H](N)C(C)(C)C)C1CC1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride?
The InChIKey is GHUUKOVHVUFJLL-YQFADDPSSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-12(2,3)10(13)11(16)14-7-8-15(4)9-5-6-9;;/h9-10H,5-8,13H2,1-4H3,(H,14,16);2*1H/t10-;;/m1../s1.
What are the key properties of (2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride?
(2S)-2-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.41, 5 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(methyl)amino]ethyl]-3,3-dimethylbutanamide;dihydrochloride is sourced from PubChem (CID 119863863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).