1-(1-adamantyl)ethanamine

C12H21N — CID 5071

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IUPAC1-(1-adamantyl)ethanamine
SMILESCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
InChIKeyUBCHPRBFMUDMNC-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.55
Rot. Bonds1

About 1-(1-adamantyl)ethanamine

1-(1-adamantyl)ethanamine (PubChem CID 5071) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(1-adamantyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)ethanamine
PubChem CID5071
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(1-adamantyl)ethanamine
SMILESCC(N)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3
InChIKeyUBCHPRBFMUDMNC-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Memantine
CID 4054
Memantine Hydrochloride
CID 181458
Rimantadine Hydrochloride
CID 15165
(3R,5S)-3,5-dimethyl-1-adamantanamine
CID 1263681
3-(Adamantan-1-yl)propan-1-amine hydrochloride
CID 35997
(1R)-1-(adamantan-1-yl)ethan-1-amine
CID 7048786
2-Aminoadamantane
CID 25332
2-Aminoadamantane hydrochloride
CID 25331
(3,5-Dimethyladamantan-1-yl)methanamine hydrochloride
CID 9551330
Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
CID 86625
(alphaS)-alpha-Methyltricyclo[3.3.1.13,7]decane-1-methanamine
CID 7048784
(1r,1'S,3'S,5'S,7'S)-spiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-4-amine
CID 51036796

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)ethanamine (CID 5071) is 1-(1-adamantyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)ethanamine is CC(N)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)ethanamine?
The InChIKey is UBCHPRBFMUDMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12/h8-11H,2-7,13H2,1H3.
What are the key properties of 1-(1-adamantyl)ethanamine?
1-(1-adamantyl)ethanamine has a molecular weight of 179.31 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)ethanamine is sourced from PubChem (CID 5071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).