3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide

C17H28N2O — CID 79997798

IUPAC3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NC1CCNC1)(C3)C2
InChIInChI=1S/C17H28N2O/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)14(20)19-13-3-4-18-8-13/h12-13,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyIUTBIIJSFYKTBL-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.46
Rot. Bonds2

About 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide

3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide (PubChem CID 79997798) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
PubChem CID79997798
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
SMILESCC12CC3CC(C)(C1)CC(C(=O)NC1CCNC1)(C3)C2
InChIInChI=1S/C17H28N2O/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)14(20)19-13-3-4-18-8-13/h12-13,18H,3-11H2,1-2H3,(H,19,20)
InChIKeyIUTBIIJSFYKTBL-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120555000
3,5-dimethyl-N-(2-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120601324
N-(3-hydroxycyclobutyl)-3,5-dimethyladamantane-1-carboxamide
CID 79998220
cis-(1S,3R)-3-[(3,5-dimethyladamantane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120674802
(3R,5S)-N-[(7R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3,5-dimethyladamantane-1-carboxamide
CID 124856853
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
CID 119534060
(3R,5S)-3,5-dimethyl-N-propan-2-yladamantane-1-carboxamide
CID 92532292
2,2-dimethyl-N-pyrrolidin-3-ylcyclopropane-1-carboxamide
CID 119030831
1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 175146889
(3R,5R)-3,5-dimethyl-N-propyladamantane-1-carboxamide
CID 98075814
1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
CID 175146888

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide?
The IUPAC name of 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide (CID 79997798) is 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide is CC12CC3CC(C)(C1)CC(C(=O)NC1CCNC1)(C3)C2.
What is the InChIKey of 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide?
The InChIKey is IUTBIIJSFYKTBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-15-5-12-6-16(2,9-15)11-17(7-12,10-15)14(20)19-13-3-4-18-8-13/h12-13,18H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide?
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide has a molecular weight of 276.42 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide is sourced from PubChem (CID 79997798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).