[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone

C18H30N2O — CID 114802025

IUPAC[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone
SMILESCC12CC3CC(C1)CC(C(=O)N1CCC(CCN)C1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-17-7-14-6-15(8-17)10-18(9-14,12-17)16(21)20-5-3-13(11-20)2-4-19/h13-15H,2-12,19H2,1H3
InChIKeyUUNKYOLVRMXTQC-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.79
Rot. Bonds3

About [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone

[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone (PubChem CID 114802025) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone
PubChem CID114802025
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone
SMILESCC12CC3CC(C1)CC(C(=O)N1CCC(CCN)C1)(C3)C2
InChIInChI=1S/C18H30N2O/c1-17-7-14-6-15(8-17)10-18(9-14,12-17)16(21)20-5-3-13(11-20)2-4-19/h13-15H,2-12,19H2,1H3
InChIKeyUUNKYOLVRMXTQC-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl-[3-(bromomethyl)pyrrolidin-1-yl]methanone
CID 80667233
(3,5-dimethyl-1-adamantyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 79423039
1-adamantyl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 75407812
(3,5-dimethyl-1-adamantyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119644766
1-adamantyl-(3-ethyl-4-hydroxypiperidin-1-yl)methanone
CID 114509932
2-cyclohexyl-1-(3-methyl-1-adamantyl)ethanone
CID 114967613
(2-methylpyrrolidin-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 115747636
ethyl 3-methyladamantane-1-carboxylate
CID 91035381
(4-bromopiperidin-1-yl)-(3,5-dimethyl-1-adamantyl)methanone
CID 80655445
1-adamantyl-(4-aminopiperidin-1-yl)methanone;hydrochloride
CID 110204181
1-adamantyl(piperazin-1-yl)methanone;hydrochloride
CID 17233942
(3-methyl-1-adamantyl)-(4-methylcyclohexyl)methanone
CID 114975070

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone?
The IUPAC name of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone (CID 114802025) is [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone.
What is the SMILES notation for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone?
The canonical SMILES for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone is CC12CC3CC(C1)CC(C(=O)N1CCC(CCN)C1)(C3)C2.
What is the InChIKey of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone?
The InChIKey is UUNKYOLVRMXTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-17-7-14-6-15(8-17)10-18(9-14,12-17)16(21)20-5-3-13(11-20)2-4-19/h13-15H,2-12,19H2,1H3.
What are the key properties of [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone?
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone has a molecular weight of 290.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methyl-1-adamantyl)methanone is sourced from PubChem (CID 114802025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).