(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride

C11H20ClNO — CID 71472116

IUPAC(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride
SMILESCl.N[C@@]12C[C@@H]3C[C@@H](C[C@@H](O)[C@@H](C3)C1)C2
InChIInChI=1S/C11H19NO.ClH/c12-11-4-7-1-8(5-11)3-10(13)9(2-7)6-11;/h7-10,13H,1-6,12H2;1H/t7-,8+,9+,10-,11-;/m1./s1
InChIKeyXGVSONKSZBBTCQ-YVWYRUKOSA-N
MW217.74 g/mol
LogP1.70
Rot. Bonds

About (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride

(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride (PubChem CID 71472116) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride.

Molecular Properties

Compound Name(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride
PubChem CID71472116
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride
SMILESCl.N[C@@]12C[C@@H]3C[C@@H](C[C@@H](O)[C@@H](C3)C1)C2
InChIInChI=1S/C11H19NO.ClH/c12-11-4-7-1-8(5-11)3-10(13)9(2-7)6-11;/h7-10,13H,1-6,12H2;1H/t7-,8+,9+,10-,11-;/m1./s1
InChIKeyXGVSONKSZBBTCQ-YVWYRUKOSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride with MolForge

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Related Compounds

(1R,3S,4S,6R,8R)-4-fluorotricyclo[4.3.1.13,8]undecan-1-amine
CID 71472119
5-aminoadamantane-2-thiol
CID 51038894
4-(difluoromethyl)tricyclo[4.3.1.13,8]undecan-1-amine
CID 71007853
adamantan-1-amine;diiminoazanium
CID 175053883
1-aminoadamantan-2-ol
CID 12563267
4-(difluoromethyl)adamantan-1-amine
CID 58192793
acetic acid;adamantan-1-amine;azane;platinum;dichloride
CID 162064090
4-methylideneadamantan-1-amine
CID 58192813
5-(1-adamantyl)adamantan-2-ol
CID 68898703
(1R,3S)-2-oxatricyclo[3.3.1.13,7]decan-5-amine
CID 122393445
N,N-dideuterioadamantan-1-amine
CID 102600925
CID 156677932
CID 156677932

Frequently Asked Questions

What is the IUPAC name of (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride?
The IUPAC name of (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride (CID 71472116) is (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride.
What is the SMILES notation for (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride?
The canonical SMILES for (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride is Cl.N[C@@]12C[C@@H]3C[C@@H](C[C@@H](O)[C@@H](C3)C1)C2.
What is the InChIKey of (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride?
The InChIKey is XGVSONKSZBBTCQ-YVWYRUKOSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c12-11-4-7-1-8(5-11)3-10(13)9(2-7)6-11;/h7-10,13H,1-6,12H2;1H/t7-,8+,9+,10-,11-;/m1./s1.
What are the key properties of (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride?
(1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,4R,6R,8R)-1-aminotricyclo[4.3.1.13,8]undecan-4-ol;hydrochloride is sourced from PubChem (CID 71472116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).