3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride

C19H33ClN2O — CID 119534060

IUPAC3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCCC1CCNC1)(C3)C2.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-17-7-15-8-18(2,11-17)13-19(9-15,12-17)16(22)21-6-4-14-3-5-20-10-14;/h14-15,20H,3-13H2,1-2H3,(H,21,22);1H
InChIKeyMBDJVLGTJRUGER-UHFFFAOYSA-N
MW340.94 g/mol
LogP3.52
Rot. Bonds4

About 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride

3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride (PubChem CID 119534060) has the molecular formula C19H33ClN2O and a molecular weight of 340.94 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
PubChem CID119534060
Molecular FormulaC19H33ClN2O
Molecular Weight340.94 g/mol
Exact Mass340.23
IUPAC Name3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride
SMILESCC12CC3CC(C)(C1)CC(C(=O)NCCC1CCNC1)(C3)C2.Cl
InChIInChI=1S/C19H32N2O.ClH/c1-17-7-15-8-18(2,11-17)13-19(9-15,12-17)16(22)21-6-4-14-3-5-20-10-14;/h14-15,20H,3-13H2,1-2H3,(H,21,22);1H
InChIKeyMBDJVLGTJRUGER-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.94
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-N-[3-(methylamino)propyl]adamantane-1-carboxamide;hydrochloride
CID 119430118
3,5-dimethyl-N-pyrrolidin-3-yladamantane-1-carboxamide
CID 79997798
N-(5-hydroxypentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107318418
3,5-dimethyl-N-(3-methylpiperidin-4-yl)adamantane-1-carboxamide;hydrochloride
CID 120555000
1-methyl-N-(2-piperidin-3-ylethyl)cyclopropane-1-carboxamide;hydrochloride
CID 119555728
N-(5-bromopentyl)-3,5-dimethyladamantane-1-carboxamide
CID 107322108
N-(2-pyrrolidin-3-ylethyl)-2-(3,3,5-trimethylcyclohexyl)acetamide
CID 119538141
2-(3-methylcyclopentyl)-N-(2-pyrrolidin-3-ylethyl)acetamide;hydrochloride
CID 119536431
(3R,5S)-3,5-dimethyl-N-prop-2-enyladamantane-1-carboxamide
CID 97170508
methyl 2-[[(3R,5S)-3,5-dimethyladamantane-1-carbonyl]amino]acetate
CID 27194648
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride (CID 119534060) is 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride is CC12CC3CC(C)(C1)CC(C(=O)NCCC1CCNC1)(C3)C2.Cl.
What is the InChIKey of 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride?
The InChIKey is MBDJVLGTJRUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O.ClH/c1-17-7-15-8-18(2,11-17)13-19(9-15,12-17)16(22)21-6-4-14-3-5-20-10-14;/h14-15,20H,3-13H2,1-2H3,(H,21,22);1H.
What are the key properties of 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride?
3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride has a molecular weight of 340.94 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-pyrrolidin-3-ylethyl)adamantane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119534060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).