N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine

C12H22N2 — CID 169432790

IUPACN-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine
SMILES[2H]C([2H])(N)C([2H])([2H])NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2/i1D2,2D2
InChIKeyLSZAYCTUPPKNOV-LNLMKGTHSA-N
MW198.35 g/mol
LogP1.36
Rot. Bonds3

About N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine

N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine (PubChem CID 169432790) has the molecular formula C12H22N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine
PubChem CID169432790
Molecular FormulaC12H22N2
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC NameN-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine
SMILES[2H]C([2H])(N)C([2H])([2H])NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2/i1D2,2D2
InChIKeyLSZAYCTUPPKNOV-LNLMKGTHSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine?
The IUPAC name of N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine (CID 169432790) is N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine.
What is the SMILES notation for N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine?
The canonical SMILES for N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine is [2H]C([2H])(N)C([2H])([2H])NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine?
The InChIKey is LSZAYCTUPPKNOV-LNLMKGTHSA-N. The full InChI is InChI=1S/C12H22N2/c13-1-2-14-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12,14H,1-7,13H2/i1D2,2D2.
What are the key properties of N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine?
N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-1,1,2,2-tetradeuterioethane-1,2-diamine is sourced from PubChem (CID 169432790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).