2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide

C13H29N3O — CID 81490277

IUPAC2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
SMILESCC(C)C(N)CCN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)11(14)7-8-16(6)9-12(17)15-13(3,4)5/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyAWQAFGJVDYVWMT-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.21
Rot. Bonds6

About 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide

2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide (PubChem CID 81490277) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
PubChem CID81490277
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
SMILESCC(C)C(N)CCN(C)CC(=O)NC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)11(14)7-8-16(6)9-12(17)15-13(3,4)5/h10-11H,7-9,14H2,1-6H3,(H,15,17)
InChIKeyAWQAFGJVDYVWMT-UHFFFAOYSA-N
XLogP1.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 81491077
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
CID 4962723
2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
CID 115317830
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methylphenyl)acetamide
CID 81491089
2-[(3-amino-4-methylpentyl)-methylamino]-N-(cyclopropylcarbamoyl)acetamide
CID 81490662
N-(tert-butylcarbamoyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 113246222
1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317840
2-[(3-amino-4-methylpentyl)-methylamino]-N-(2-methoxyphenyl)acetamide
CID 81496851
2-[(3-amino-4-methylpentyl)-methylamino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 81491242
N'-[2-[(3-amino-4-methylpentyl)-methylamino]acetyl]thiophene-2-carbohydrazide
CID 115317749
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide?
The IUPAC name of 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide (CID 81490277) is 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide?
The canonical SMILES for 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide is CC(C)C(N)CCN(C)CC(=O)NC(C)(C)C.
What is the InChIKey of 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide?
The InChIKey is AWQAFGJVDYVWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(2)11(14)7-8-16(6)9-12(17)15-13(3,4)5/h10-11H,7-9,14H2,1-6H3,(H,15,17).
What are the key properties of 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide?
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide has a molecular weight of 243.39 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide is sourced from PubChem (CID 81490277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).