2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide

C17H35N3O — CID 79665477

IUPAC2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
SMILESCCCN(CC(=O)NC1CCCCCC1)CC(C)(C)CN
InChIInChI=1S/C17H35N3O/c1-4-11-20(14-17(2,3)13-18)12-16(21)19-15-9-7-5-6-8-10-15/h15H,4-14,18H2,1-3H3,(H,19,21)
InChIKeyUDZLGWMECKTDAA-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.52
Rot. Bonds8

About 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide

2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide (PubChem CID 79665477) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
PubChem CID79665477
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
SMILESCCCN(CC(=O)NC1CCCCCC1)CC(C)(C)CN
InChIInChI=1S/C17H35N3O/c1-4-11-20(14-17(2,3)13-18)12-16(21)19-15-9-7-5-6-8-10-15/h15H,4-14,18H2,1-3H3,(H,19,21)
InChIKeyUDZLGWMECKTDAA-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.52
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)-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-propylacetamide
CID 79662015
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 79662090
2-[(1-amino-2-methylbutan-2-yl)-methylamino]-N-cycloheptylacetamide
CID 62548949
2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
CID 54992919
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-pyrimidin-2-ylacetamide
CID 79662404
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335
2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-cyclopentylacetamide
CID 62007585

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide (CID 79665477) is 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide is CCCN(CC(=O)NC1CCCCCC1)CC(C)(C)CN.
What is the InChIKey of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide?
The InChIKey is UDZLGWMECKTDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-11-20(14-17(2,3)13-18)12-16(21)19-15-9-7-5-6-8-10-15/h15H,4-14,18H2,1-3H3,(H,19,21).
What are the key properties of 2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide?
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide has a molecular weight of 297.49 g/mol, XLogP of 2.52, 8 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)-propylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 79665477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).