(7S)-N-iodo-1-methyladamantan-2-amine

C11H18IN — CID 154931045

IUPAC(7S)-N-iodo-1-methyladamantan-2-amine
SMILESCC12CC3CC(C[C@H](C3)C1)C2NI
InChIInChI=1S/C11H18IN/c1-11-5-7-2-8(6-11)4-9(3-7)10(11)13-12/h7-10,13H,2-6H2,1H3/t7-,8?,9?,10?,11?/m0/s1
InChIKeyUASZIYQOBJAAMC-YUIALVRMSA-N
MW291.18 g/mol
LogP3.14
Rot. Bonds1

About (7S)-N-iodo-1-methyladamantan-2-amine

(7S)-N-iodo-1-methyladamantan-2-amine (PubChem CID 154931045) has the molecular formula C11H18IN and a molecular weight of 291.18 g/mol. Its IUPAC name is (7S)-N-iodo-1-methyladamantan-2-amine.

Molecular Properties

Compound Name(7S)-N-iodo-1-methyladamantan-2-amine
PubChem CID154931045
Molecular FormulaC11H18IN
Molecular Weight291.18 g/mol
Exact Mass291.05
IUPAC Name(7S)-N-iodo-1-methyladamantan-2-amine
SMILESCC12CC3CC(C[C@H](C3)C1)C2NI
InChIInChI=1S/C11H18IN/c1-11-5-7-2-8(6-11)4-9(3-7)10(11)13-12/h7-10,13H,2-6H2,1H3/t7-,8?,9?,10?,11?/m0/s1
InChIKeyUASZIYQOBJAAMC-YUIALVRMSA-N
XLogP3.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-iodo-1-methyladamantan-2-amine?
The IUPAC name of (7S)-N-iodo-1-methyladamantan-2-amine (CID 154931045) is (7S)-N-iodo-1-methyladamantan-2-amine.
What is the SMILES notation for (7S)-N-iodo-1-methyladamantan-2-amine?
The canonical SMILES for (7S)-N-iodo-1-methyladamantan-2-amine is CC12CC3CC(C[C@H](C3)C1)C2NI.
What is the InChIKey of (7S)-N-iodo-1-methyladamantan-2-amine?
The InChIKey is UASZIYQOBJAAMC-YUIALVRMSA-N. The full InChI is InChI=1S/C11H18IN/c1-11-5-7-2-8(6-11)4-9(3-7)10(11)13-12/h7-10,13H,2-6H2,1H3/t7-,8?,9?,10?,11?/m0/s1.
What are the key properties of (7S)-N-iodo-1-methyladamantan-2-amine?
(7S)-N-iodo-1-methyladamantan-2-amine has a molecular weight of 291.18 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-iodo-1-methyladamantan-2-amine is sourced from PubChem (CID 154931045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).