4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride

C11H27Cl2N3O — CID 119874323

IUPAC4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
SMILESCCC(C)N(C)CCNC(=O)CCCN.Cl.Cl
InChIInChI=1S/C11H25N3O.2ClH/c1-4-10(2)14(3)9-8-13-11(15)6-5-7-12;;/h10H,4-9,12H2,1-3H3,(H,13,15);2*1H
InChIKeyZKAXQFRAPQEZEM-UHFFFAOYSA-N
MW288.26 g/mol
LogP1.42
Rot. Bonds8

About 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride

4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride (PubChem CID 119874323) has the molecular formula C11H27Cl2N3O and a molecular weight of 288.26 g/mol. Its IUPAC name is 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
PubChem CID119874323
Molecular FormulaC11H27Cl2N3O
Molecular Weight288.26 g/mol
Exact Mass287.15
IUPAC Name4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride
SMILESCCC(C)N(C)CCNC(=O)CCCN.Cl.Cl
InChIInChI=1S/C11H25N3O.2ClH/c1-4-10(2)14(3)9-8-13-11(15)6-5-7-12;;/h10H,4-9,12H2,1-3H3,(H,13,15);2*1H
InChIKeyZKAXQFRAPQEZEM-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[2-[methyl(propan-2-yl)amino]ethyl]heptanamide
CID 62642436
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
CID 107143404
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120704264
3-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]pentanamide
CID 114134084
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
CID 107269526
7-amino-N-[2-[ethyl(methyl)amino]ethyl]heptanamide;dihydrochloride
CID 119866060
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119878781
4-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83111457
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]hexanamide
CID 103832053
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316373
2-anilino-N-[2-[butan-2-yl(methyl)amino]ethyl]acetamide;dihydrochloride
CID 119874299

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride (CID 119874323) is 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride is CCC(C)N(C)CCNC(=O)CCCN.Cl.Cl.
What is the InChIKey of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride?
The InChIKey is ZKAXQFRAPQEZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.2ClH/c1-4-10(2)14(3)9-8-13-11(15)6-5-7-12;;/h10H,4-9,12H2,1-3H3,(H,13,15);2*1H.
What are the key properties of 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride?
4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride has a molecular weight of 288.26 g/mol, XLogP of 1.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119874323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).