2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride

C15H32ClN3O — CID 119928901

IUPAC2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
SMILESCN(CC(=O)NC1CCCCCC1)CC(C)(C)CN.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-15(2,11-16)12-18(3)10-14(19)17-13-8-6-4-5-7-9-13;/h13H,4-12,16H2,1-3H3,(H,17,19);1H
InChIKeyCYNPGJGPHOKWDE-UHFFFAOYSA-N
MW305.89 g/mol
LogP2.16
Rot. Bonds6

About 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride (PubChem CID 119928901) has the molecular formula C15H32ClN3O and a molecular weight of 305.89 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
PubChem CID119928901
Molecular FormulaC15H32ClN3O
Molecular Weight305.89 g/mol
Exact Mass305.22
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride
SMILESCN(CC(=O)NC1CCCCCC1)CC(C)(C)CN.Cl
InChIInChI=1S/C15H31N3O.ClH/c1-15(2,11-16)12-18(3)10-14(19)17-13-8-6-4-5-7-9-13;/h13H,4-12,16H2,1-3H3,(H,17,19);1H
InChIKeyCYNPGJGPHOKWDE-UHFFFAOYSA-N
XLogP2.16
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.89
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexylacetamide
CID 79651871
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
CID 62548949
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cycloheptylacetamide
CID 55024099
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclohexylacetamide
CID 60729940
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
3-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 60986544
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cyclohexyl-N-ethylacetamide
CID 79652736
N-(3-amino-2,2-dimethylpropyl)-2-(cyclohexylcarbamoylamino)-N-methylacetamide
CID 119656351
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-cyclopentylacetamide
CID 60730257
2-[(3-amino-3-sulfanylidenepropyl)-methylamino]-N-cyclohexylacetamide
CID 43186296
N-cyclopentyl-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 78809352

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride (CID 119928901) is 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride is CN(CC(=O)NC1CCCCCC1)CC(C)(C)CN.Cl.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride?
The InChIKey is CYNPGJGPHOKWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O.ClH/c1-15(2,11-16)12-18(3)10-14(19)17-13-8-6-4-5-7-9-13;/h13H,4-12,16H2,1-3H3,(H,17,19);1H.
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride?
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride has a molecular weight of 305.89 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-cycloheptylacetamide;hydrochloride is sourced from PubChem (CID 119928901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).