N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide

C16H31N3O2 — CID 108960232

IUPACN-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H31N3O2/c1-16(2,14(20)17-11-12-19(3)4)15(21)18-13-9-7-5-6-8-10-13/h13H,5-12H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyZUOYJCJUHHOOBM-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.53
Rot. Bonds6

About N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide

N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide (PubChem CID 108960232) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
PubChem CID108960232
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
SMILESCN(C)CCNC(=O)C(C)(C)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H31N3O2/c1-16(2,14(20)17-11-12-19(3)4)15(21)18-13-9-7-5-6-8-10-13/h13H,5-12H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyZUOYJCJUHHOOBM-UHFFFAOYSA-N
XLogP1.53
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N'-[3-(dimethylamino)propyl]-2,2-dimethylpropanediamide
CID 108957385
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
3-(azepan-1-yl)-N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-oxopropanamide
CID 108960243
N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108958979
4-N-cycloheptyl-1-N-[2-(dimethylamino)ethyl]benzene-1,4-dicarboxamide
CID 109045756
N-cycloheptyl-N'-[2-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108964428
N'-cyclopropyl-N-[2-(dimethylamino)ethyl]oxamide
CID 3312354
N-cyclopropyl-N'-(3-methoxypropyl)-2,2-dimethylpropanediamide
CID 108957380
N-cyclohexyl-N'-[2-(3,4-dimethoxyphenyl)ethyl]-2,2-dimethylpropanediamide
CID 108958959
N-[2-(dimethylamino)ethyl]cyclohexanecarboxamide;dihydrochloride
CID 139348524
N-cyclopentyl-2-[2-(dimethylamino)ethylamino]pyrimidine-5-carboxamide
CID 109249531
N-cyclohexyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108958927

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The IUPAC name of N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide (CID 108960232) is N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide.
What is the SMILES notation for N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The canonical SMILES for N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide is CN(C)CCNC(=O)C(C)(C)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
The InChIKey is ZUOYJCJUHHOOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,14(20)17-11-12-19(3)4)15(21)18-13-9-7-5-6-8-10-13/h13H,5-12H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide?
N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide has a molecular weight of 297.44 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide is sourced from PubChem (CID 108960232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).