(5S,7R)-3-bromoadamantan-1-amine

C10H16BrN — CID 97466147

IUPAC(5S,7R)-3-bromoadamantan-1-amine
SMILESNC12C[C@H]3C[C@@H](C1)CC(Br)(C3)C2
InChIInChI=1S/C10H16BrN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?
InChIKeyMVSBABWZAHWBSX-BQKDNTBBSA-N
MW230.15 g/mol
LogP2.43
Rot. Bonds

About (5S,7R)-3-bromoadamantan-1-amine

(5S,7R)-3-bromoadamantan-1-amine (PubChem CID 97466147) has the molecular formula C10H16BrN and a molecular weight of 230.15 g/mol. Its IUPAC name is (5S,7R)-3-bromoadamantan-1-amine.

Molecular Properties

Compound Name(5S,7R)-3-bromoadamantan-1-amine
PubChem CID97466147
Molecular FormulaC10H16BrN
Molecular Weight230.15 g/mol
Exact Mass229.05
IUPAC Name(5S,7R)-3-bromoadamantan-1-amine
SMILESNC12C[C@H]3C[C@@H](C1)CC(Br)(C3)C2
InChIInChI=1S/C10H16BrN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?
InChIKeyMVSBABWZAHWBSX-BQKDNTBBSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-bromoadamantan-1-amine?
The IUPAC name of (5S,7R)-3-bromoadamantan-1-amine (CID 97466147) is (5S,7R)-3-bromoadamantan-1-amine.
What is the SMILES notation for (5S,7R)-3-bromoadamantan-1-amine?
The canonical SMILES for (5S,7R)-3-bromoadamantan-1-amine is NC12C[C@H]3C[C@@H](C1)CC(Br)(C3)C2.
What is the InChIKey of (5S,7R)-3-bromoadamantan-1-amine?
The InChIKey is MVSBABWZAHWBSX-BQKDNTBBSA-N. The full InChI is InChI=1S/C10H16BrN/c11-9-2-7-1-8(3-9)5-10(12,4-7)6-9/h7-8H,1-6,12H2/t7-,8+,9?,10?.
What are the key properties of (5S,7R)-3-bromoadamantan-1-amine?
(5S,7R)-3-bromoadamantan-1-amine has a molecular weight of 230.15 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-bromoadamantan-1-amine is sourced from PubChem (CID 97466147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).