1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine

C18H32N2 — CID 79177412

IUPAC1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1CN(CC(N)C23CC4CC(CC(C4)C2)C3)CC1C
InChIInChI=1S/C18H32N2/c1-12-9-20(10-13(12)2)11-17(19)18-6-14-3-15(7-18)5-16(4-14)8-18/h12-17H,3-11,19H2,1-2H3
InChIKeyKFHSBWGSKXUUBG-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.12
Rot. Bonds3

About 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine

1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine (PubChem CID 79177412) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
PubChem CID79177412
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine
SMILESCC1CN(CC(N)C23CC4CC(CC(C4)C2)C3)CC1C
InChIInChI=1S/C18H32N2/c1-12-9-20(10-13(12)2)11-17(19)18-6-14-3-15(7-18)5-16(4-14)8-18/h12-17H,3-11,19H2,1-2H3
InChIKeyKFHSBWGSKXUUBG-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(1-adamantyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 166445853
1-(1-adamantyl)-2-(3,3-dimethylmorpholin-4-yl)ethanamine
CID 61430229
1-(3,4-dimethylpyrrolidin-1-yl)pentan-2-amine
CID 79189172
1-(1-adamantyl)-2-cyclopropylethanamine
CID 64904037
(1R)-1-(1-adamantyl)ethanamine
CID 7048786
1-(1-adamantyl)-2-(4-methylpentan-2-yloxy)ethanamine
CID 43105658
1-(1-adamantyl)-2-propan-2-ylsulfinylethanamine
CID 64655802
4-(1-adamantyl)-4-aminobutanoic acid;hydrochloride
CID 2941690
1-(1-adamantyl)-2-cyclobutylethanamine
CID 65457441
1-(3-methyl-1-adamantyl)butan-1-amine
CID 115778291
1-(1-adamantyl)-2,2-dimethylpropan-1-amine
CID 12619343
(2R)-1-[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]propan-2-amine
CID 122669524

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine (CID 79177412) is 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine is CC1CN(CC(N)C23CC4CC(CC(C4)C2)C3)CC1C.
What is the InChIKey of 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
The InChIKey is KFHSBWGSKXUUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-12-9-20(10-13(12)2)11-17(19)18-6-14-3-15(7-18)5-16(4-14)8-18/h12-17H,3-11,19H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine?
1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine has a molecular weight of 276.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 79177412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).