3-amino-N-(2-methylbutan-2-yl)propanamide

C8H18N2O — CID 16790740

IUPAC3-amino-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCN
InChIInChI=1S/C8H18N2O/c1-4-8(2,3)10-7(11)5-6-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyBAASMBMKEFPBDY-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.64
Rot. Bonds4

About 3-amino-N-(2-methylbutan-2-yl)propanamide

3-amino-N-(2-methylbutan-2-yl)propanamide (PubChem CID 16790740) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-amino-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-methylbutan-2-yl)propanamide
PubChem CID16790740
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-amino-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)CCN
InChIInChI=1S/C8H18N2O/c1-4-8(2,3)10-7(11)5-6-9/h4-6,9H2,1-3H3,(H,10,11)
InChIKeyBAASMBMKEFPBDY-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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N-tert-butyl-3,3-bis(methylamino)propanamide
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N-tert-butyl-3-(2-fluoroethylamino)propanamide
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N-tert-butyl-3-(3,3,3-trifluoropropylamino)propanamide
CID 104420106
N-tert-butyl-3-(2,2-difluoroethylamino)propanamide
CID 104420242
N-tert-butyl-3-(3-fluoropropylamino)propanamide
CID 104420278
3-(3-Fluoropropylamino)-3-methylbutanamide
CID 104580479
N-tert-butyl-3-(2,2,2-trifluoroethylamino)propanamide
CID 115605348
N-(4-amino-1,1-difluoro-2-methylbutan-2-yl)propanamide
CID 165448658
3-(3-aminopropylamino)-N-propan-2-ylpropanamide
CID 15227600
4,4,8,8,12,12-Hexamethyl-1,5,9-triazacyclododecane-2,6,10-trione
CID 101279207

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-amino-N-(2-methylbutan-2-yl)propanamide (CID 16790740) is 3-amino-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-amino-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)CCN.
What is the InChIKey of 3-amino-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is BAASMBMKEFPBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-4-8(2,3)10-7(11)5-6-9/h4-6,9H2,1-3H3,(H,10,11).
What are the key properties of 3-amino-N-(2-methylbutan-2-yl)propanamide?
3-amino-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 158.24 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 16790740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).