2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide

C15H31N3O — CID 62548949

IUPAC2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
SMILESCCC(C)(CN)N(C)CC(=O)NC1CCCCCC1
InChIInChI=1S/C15H31N3O/c1-4-15(2,12-16)18(3)11-14(19)17-13-9-7-5-6-8-10-13/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyWZQRXSQQNQNMLY-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.88
Rot. Bonds6

About 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide

2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide (PubChem CID 62548949) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
PubChem CID62548949
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
SMILESCCC(C)(CN)N(C)CC(=O)NC1CCCCCC1
InChIInChI=1S/C15H31N3O/c1-4-15(2,12-16)18(3)11-14(19)17-13-9-7-5-6-8-10-13/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyWZQRXSQQNQNMLY-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cyclopropylacetamide
CID 62010381
2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-cyclopentylacetamide
CID 62007585
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
CID 119928901
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
CID 62010007
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-pentan-3-ylacetamide
CID 62009568
2-[3-(aminomethyl)pentan-3-yloxy]-N-cycloheptylacetamide
CID 65050753
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 79120936
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
N-cyclodecylpropanamide
CID 122483649

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide (CID 62548949) is 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide is CCC(C)(CN)N(C)CC(=O)NC1CCCCCC1.
What is the InChIKey of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide?
The InChIKey is WZQRXSQQNQNMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-15(2,12-16)18(3)11-14(19)17-13-9-7-5-6-8-10-13/h13H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide?
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide has a molecular weight of 269.43 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 62548949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).