1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine

C₉H₁₇N — CID 59578602

About 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine

1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 59578602) has the molecular formula C₉H₁₇N and a molecular weight of 150.31 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

• Compound Name: 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine
• PubChem CID: 59578602
• Molecular Formula: C₉H₁₇N
• Molecular Weight: 150.31 g/mol
• Exact Mass: 150.21
• IUPAC Name: 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine
• SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(NC(=C)C)C([2H])([2H])C1([2H])[2H]
• InChI: InChI=1S/C9H17N/c1-8(2)10-9-6-4-3-5-7-9/h9-10H,1,3-7H2,2H3/i3D2,4D2,5D2,6D2,7D2,9D
• InChIKey: CAEHGILEPFRDIR-QFAYMVOLSA-N
• XLogP: 2.44
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 2
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	150.31
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine?

The IUPAC name of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine (CID 59578602) is 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine.

What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine?

The canonical SMILES for 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine is [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(NC(=C)C)C([2H])([2H])C1([2H])[2H].

What is the InChIKey of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine?

The InChIKey is CAEHGILEPFRDIR-QFAYMVOLSA-N. The full InChI is InChI=1S/C9H17N/c1-8(2)10-9-6-4-3-5-7-9/h9-10H,1,3-7H2,2H3/i3D2,4D2,5D2,6D2,7D2,9D.

What are the key properties of 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine?

1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 150.31 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,2,3,3,4,4,5,5,6,6-undecadeuterio-N-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 59578602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 59578602 — identifiers, structure, computed properties (public domain)

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