3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol

C12H21NO — CID 57369169

IUPAC3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol
SMILES[2H]C([2H])([2H])C([2H])(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10,14H,2-7,13H2,1H3/i1D3,8D
InChIKeyJVWKHPHTJHFQAN-HUYMCZDOSA-N
MW199.33 g/mol
LogP1.66
Rot. Bonds2

About 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol

3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol (PubChem CID 57369169) has the molecular formula C12H21NO and a molecular weight of 199.33 g/mol. Its IUPAC name is 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol.

Molecular Properties

Compound Name3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol
PubChem CID57369169
Molecular FormulaC12H21NO
Molecular Weight199.33 g/mol
Exact Mass199.19
IUPAC Name3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol
SMILES[2H]C([2H])([2H])C([2H])(N)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C12H21NO/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10,14H,2-7,13H2,1H3/i1D3,8D
InChIKeyJVWKHPHTJHFQAN-HUYMCZDOSA-N
XLogP1.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.33
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Adamantan-1-yl)-2-aminoethan-1-ol
CID 2835979
3-(Aminomethyl)adamantan-1-ol hydrochloride
CID 2835848
3-(1-Aminoethyl)adamantan-1-ol hydrochloride
CID 2769977
3-(Aminomethyl)adamantan-1-ol
CID 565523
3-(2-Aminopropyl)adamantan-1-ol
CID 516158
3-(1-Aminoethyl)adamantan-1-ol
CID 2769978
3-Adamantanol, 1-(2-methylaminopropyl)-, hydrochloride
CID 36015
4-Aminoadamantan-1-ol hydrochloride
CID 2857446
1-(2-Aminopropyl)adamantan-2-ol
CID 516157
3-(1-Aminopropyl)-1-adamantanol hydrochloride
CID 2828195
3-(1-Amino-propyl)-adamantan-1-ol
CID 2828196
Tricyclo[3.3.1.1~3,7~]decan-1-ol, 3-(2-aminoethyl)-, conjugate acid
CID 5276204

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol?
The IUPAC name of 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol (CID 57369169) is 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol.
What is the SMILES notation for 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol?
The canonical SMILES for 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol is [2H]C([2H])([2H])C([2H])(N)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol?
The InChIKey is JVWKHPHTJHFQAN-HUYMCZDOSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(13)11-3-9-2-10(4-11)6-12(14,5-9)7-11/h8-10,14H,2-7,13H2,1H3/i1D3,8D.
What are the key properties of 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol?
3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol has a molecular weight of 199.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-1,2,2,2-tetradeuterioethyl)adamantan-1-ol is sourced from PubChem (CID 57369169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).