(3S)-4-aminoadamantan-1-ol;hydrochloride

C10H18ClNO — CID 45489843

IUPAC(3S)-4-aminoadamantan-1-ol;hydrochloride
SMILESCl.NC1C2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C10H17NO.ClH/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;/h6-9,12H,1-5,11H2;1H/t6?,7-,8?,9?,10?;/m0./s1
InChIKeyKWEPNQFVPHYHHO-VSLJLWNASA-N
MW203.71 g/mol
LogP1.31
Rot. Bonds

About (3S)-4-aminoadamantan-1-ol;hydrochloride

(3S)-4-aminoadamantan-1-ol;hydrochloride (PubChem CID 45489843) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is (3S)-4-aminoadamantan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-4-aminoadamantan-1-ol;hydrochloride
PubChem CID45489843
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name(3S)-4-aminoadamantan-1-ol;hydrochloride
SMILESCl.NC1C2CC3C[C@H]1CC(O)(C3)C2
InChIInChI=1S/C10H17NO.ClH/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;/h6-9,12H,1-5,11H2;1H/t6?,7-,8?,9?,10?;/m0./s1
InChIKeyKWEPNQFVPHYHHO-VSLJLWNASA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-aminoadamantan-1-ol;hydrochloride?
The IUPAC name of (3S)-4-aminoadamantan-1-ol;hydrochloride (CID 45489843) is (3S)-4-aminoadamantan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-4-aminoadamantan-1-ol;hydrochloride?
The canonical SMILES for (3S)-4-aminoadamantan-1-ol;hydrochloride is Cl.NC1C2CC3C[C@H]1CC(O)(C3)C2.
What is the InChIKey of (3S)-4-aminoadamantan-1-ol;hydrochloride?
The InChIKey is KWEPNQFVPHYHHO-VSLJLWNASA-N. The full InChI is InChI=1S/C10H17NO.ClH/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7;/h6-9,12H,1-5,11H2;1H/t6?,7-,8?,9?,10?;/m0./s1.
What are the key properties of (3S)-4-aminoadamantan-1-ol;hydrochloride?
(3S)-4-aminoadamantan-1-ol;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-aminoadamantan-1-ol;hydrochloride is sourced from PubChem (CID 45489843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).