(3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol

C9H19NO — CID 176650868

IUPAC(3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol
SMILES[2H]C([2H])(O)C1(C)CC(N)(C(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)9(10)4-8(3,5-9)6-11/h7,11H,4-6,10H2,1-3H3/i6D2
InChIKeyWRSYTOCLWPDHME-NCYHJHSESA-N
MW159.27 g/mol
LogP1.13
Rot. Bonds2

About (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol

(3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol (PubChem CID 176650868) has the molecular formula C9H19NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol.

Molecular Properties

Compound Name(3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol
PubChem CID176650868
Molecular FormulaC9H19NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol
SMILES[2H]C([2H])(O)C1(C)CC(N)(C(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)9(10)4-8(3,5-9)6-11/h7,11H,4-6,10H2,1-3H3/i6D2
InChIKeyWRSYTOCLWPDHME-NCYHJHSESA-N
XLogP1.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol?
The IUPAC name of (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol (CID 176650868) is (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol.
What is the SMILES notation for (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol?
The canonical SMILES for (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol is [2H]C([2H])(O)C1(C)CC(N)(C(C)C)C1.
What is the InChIKey of (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol?
The InChIKey is WRSYTOCLWPDHME-NCYHJHSESA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)9(10)4-8(3,5-9)6-11/h7,11H,4-6,10H2,1-3H3/i6D2.
What are the key properties of (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol?
(3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol has a molecular weight of 159.27 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methyl-3-propan-2-ylcyclobutyl)-dideuteriomethanol is sourced from PubChem (CID 176650868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).