N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen

C8H24N2O — CID 153349361

IUPACN-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC(=O)NC(C)CCN.[H][H].[H][H]
InChIInChI=1S/C6H14N2O.C2H6.2H2/c1-5(3-4-7)8-6(2)9;1-2;;/h5H,3-4,7H2,1-2H3,(H,8,9);1-2H3;2*1H
InChIKeyDSZWIAKCVWORHE-UHFFFAOYSA-N
MW164.29 g/mol
LogP1.38
Rot. Bonds3

About N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen

N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen (PubChem CID 153349361) has the molecular formula C8H24N2O and a molecular weight of 164.29 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
PubChem CID153349361
Molecular FormulaC8H24N2O
Molecular Weight164.29 g/mol
Exact Mass164.19
IUPAC NameN-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen
SMILESCC.CC(=O)NC(C)CCN.[H][H].[H][H]
InChIInChI=1S/C6H14N2O.C2H6.2H2/c1-5(3-4-7)8-6(2)9;1-2;;/h5H,3-4,7H2,1-2H3,(H,8,9);1-2H3;2*1H
InChIKeyDSZWIAKCVWORHE-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromobutan-2-yl)acetamide
CID 83179388
N-(4-aminobutan-2-yl)-2-methylpropanamide
CID 62087211
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978
N-(4-aminobutan-2-yl)-4-methylpentanamide
CID 62092208
3-(4-aminobutan-2-yl)-1,1-dimethylurea
CID 79154286
N-(3-acetamidobutyl)acetamide
CID 118918333
3-acetamido-5-aminopentanoic acid
CID 91746269
propan-2-yl N-(4-aminobutan-2-yl)carbamate
CID 62094213
(2S)-2-acetamido-4-amino-N-methylbutanamide
CID 89072475
N-hexan-2-ylacetamide;methane
CID 161054772
N-[1-(hydroxyamino)ethyl]acetamide;molecular hydrogen
CID 142966371
N-[(2R)-1-(methylamino)propan-2-yl]acetamide
CID 88935703

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen?
The IUPAC name of N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen (CID 153349361) is N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen.
What is the SMILES notation for N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen?
The canonical SMILES for N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen is CC.CC(=O)NC(C)CCN.[H][H].[H][H].
What is the InChIKey of N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen?
The InChIKey is DSZWIAKCVWORHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2H6.2H2/c1-5(3-4-7)8-6(2)9;1-2;;/h5H,3-4,7H2,1-2H3,(H,8,9);1-2H3;2*1H.
What are the key properties of N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen?
N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen has a molecular weight of 164.29 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 153349361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).