N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide

C21H36N2O — CID 144527545

IUPACN-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
SMILESCCCN(CCN(C)C)C(=O)C12CC3CC4(C)CC(C)(C1)C4(C3)C2
InChIInChI=1S/C21H36N2O/c1-6-7-23(9-8-22(4)5)17(24)20-11-16-10-18(2)13-19(3,14-20)21(18,12-16)15-20/h16H,6-15H2,1-5H3
InChIKeyXVNAWZXUDZCCTD-UHFFFAOYSA-N
MW332.53 g/mol
LogP3.78
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide

N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide (PubChem CID 144527545) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
PubChem CID144527545
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC NameN-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
SMILESCCCN(CCN(C)C)C(=O)C12CC3CC4(C)CC(C)(C1)C4(C3)C2
InChIInChI=1S/C21H36N2O/c1-6-7-23(9-8-22(4)5)17(24)20-11-16-10-18(2)13-19(3,14-20)21(18,12-16)15-20/h16H,6-15H2,1-5H3
InChIKeyXVNAWZXUDZCCTD-UHFFFAOYSA-N
XLogP3.78
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-hydroxy-3,5-dimethyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide
CID 126602772
1-amino-N-[2-(dimethylamino)ethyl]-N-propylcyclobutane-1-carboxamide
CID 81169609
1-[2-(dimethylamino)ethyl-propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097169
N-butyl-N,3,5-trimethyladamantane-1-carboxamide
CID 112771455
3,7-dimethyltricyclo[3.3.1.03,7]nonane-1-carboxylic acid
CID 18593579
methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
CID 115612493
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 62781778
1-amino-N,N-dipropylcyclobutane-1-carboxamide
CID 81167159
N,N-bis(2-hydroxyethyl)adamantane-1-carboxamide
CID 60653107
N,3,5-trimethyl-N-[4-(methylamino)-4-oxobutan-2-yl]adamantane-1-carboxamide
CID 46997946
2-(1-aminocyclopentyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 64677838
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-propylurea
CID 113231661

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide (CID 144527545) is N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide is CCCN(CCN(C)C)C(=O)C12CC3CC4(C)CC(C)(C1)C4(C3)C2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
The InChIKey is XVNAWZXUDZCCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-6-7-23(9-8-22(4)5)17(24)20-11-16-10-18(2)13-19(3,14-20)21(18,12-16)15-20/h16H,6-15H2,1-5H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide?
N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide has a molecular weight of 332.53 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,5-dimethyl-N-propyltetracyclo[5.3.1.03,9.05,9]undecane-1-carboxamide is sourced from PubChem (CID 144527545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).