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

C18H33ClN2O — CID 2852753

IUPACN-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C18H32N2O.ClH/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);1H
InChIKeySVWAJYJRPUWAJK-UHFFFAOYSA-N
MW328.93 g/mol
LogP3.47
Rot. Bonds4

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

N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride (PubChem CID 2852753) has the molecular formula C18H33ClN2O and a molecular weight of 328.93 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride
PubChem CID2852753
Molecular FormulaC18H33ClN2O
Molecular Weight328.93 g/mol
Exact Mass328.23
IUPAC NameN-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride
SMILESCN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.Cl
InChIInChI=1S/C18H32N2O.ClH/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);1H
InChIKeySVWAJYJRPUWAJK-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.93
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tricyclo(3.3.1.13,7)decane-1-carboxamide, N-(2-(diethylamino)ethyl)-, hydrochloride (1:1)
CID 212874
2-Adamantan-1-yl-N-decyl-acetamide
CID 11382033
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-methylacetamide
CID 23645895
(alphaS)-alpha-Amino-N-(cyanomethyl)-N-ethyltricyclo[3.3.1.13,7]decane-1-acetamide
CID 23645896
Adamantan-1-yl-piperazin-1-yl-methanone
CID 17233943
(2S)-2-(adamantan-1-yl)-2-amino-N-[(1S)-1-cyanoethyl]acetamide
CID 23645892
(2S)-2-(adamantan-1-yl)-2-amino-N-(cyanomethyl)-N-propylacetamide
CID 23645897
(3,5-Dimethyl-adamantan-1-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 2842992
N-[2-(diethylamino)ethyl]-3,5-dimethyl-1-adamantanecarboxamide hydrochloride
CID 2850702
N-[1-[2-(dimethylamino)ethylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide;hydrochloride
CID 6603536
N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-[3-[2-[3-[4-(3-aminopropylamino)butylamino]propylamino]-2-oxoethyl]-1-adamantyl]acetamide
CID 10189295
2-(1-adamantyl)-N-[3-[3-(3-aminopropylamino)propylamino]propyl]acetamide
CID 44346643

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride (CID 2852753) is N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride is CN(C)CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2.Cl.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride?
The InChIKey is SVWAJYJRPUWAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O.ClH/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);1H.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride?
N-[2-(dimethylamino)ethyl]-3,5,7-trimethyladamantane-1-carboxamide;hydrochloride has a molecular weight of 328.93 g/mol, XLogP of 3.47, 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;hydrochloride is sourced from PubChem (CID 2852753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).