N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide

C18H32N2O — CID 658885

IUPACN-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide
SMILESCN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)14(21)19-6-7-20(4)5/h6-13H2,1-5H3,(H,19,21)
InChIKeyVAKMKOXCESUTKU-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.05
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide

N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide (PubChem CID 658885) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide
PubChem CID658885
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide
SMILESCN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C18H32N2O/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)14(21)19-6-7-20(4)5/h6-13H2,1-5H3,(H,19,21)
InChIKeyVAKMKOXCESUTKU-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide (CID 658885) is N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide is CN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide?
The InChIKey is VAKMKOXCESUTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-15-8-16(2)10-17(3,9-15)13-18(11-15,12-16)14(21)19-6-7-20(4)5/h6-13H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide?
N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide is sourced from PubChem (CID 658885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).