(1S,3S)-5-methoxyadamantan-2-amine

C11H19NO — CID 99645706

IUPAC(1S,3S)-5-methoxyadamantan-2-amine
SMILESCOC12CC3C[C@@H](C1)C(N)[C@@H](C3)C2
InChIInChI=1S/C11H19NO/c1-13-11-4-7-2-8(5-11)10(12)9(3-7)6-11/h7-10H,2-6,12H2,1H3/t7?,8-,9-,10?,11?/m0/s1
InChIKeyAVCMRZFKXQGNGB-BJYFRKOGSA-N
MW181.28 g/mol
LogP1.54
Rot. Bonds1

About (1S,3S)-5-methoxyadamantan-2-amine

(1S,3S)-5-methoxyadamantan-2-amine (PubChem CID 99645706) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,3S)-5-methoxyadamantan-2-amine.

Molecular Properties

Compound Name(1S,3S)-5-methoxyadamantan-2-amine
PubChem CID99645706
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(1S,3S)-5-methoxyadamantan-2-amine
SMILESCOC12CC3C[C@@H](C1)C(N)[C@@H](C3)C2
InChIInChI=1S/C11H19NO/c1-13-11-4-7-2-8(5-11)10(12)9(3-7)6-11/h7-10H,2-6,12H2,1H3/t7?,8-,9-,10?,11?/m0/s1
InChIKeyAVCMRZFKXQGNGB-BJYFRKOGSA-N
XLogP1.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxyadamantan-2-amine
CID 59574132
1-methoxyadamantane
CID 584854
[(3S,5S)-4-amino-1-adamantyl] acetate
CID 124670212
5-(2-methylsulfonylethoxy)adamantan-2-amine
CID 68518242
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
(4-methoxy-1-adamantyl) carbamate
CID 69154612
4-aminoadamantan-1-ol;hydrate;hydrochloride
CID 174624676
(1S,3R,5R)-1-methoxybicyclo[3.3.1]nonan-3-amine
CID 138987517
1-ethoxy-4-methyladamantane
CID 141189891
4-aminoadamantane-1-carboxylic acid;hydrochloride
CID 67549103
(4-amino-1-adamantyl)methyl carbamate
CID 53261740
(1R,5R)-3-[(1R)-1-[(1R,3R)-5-methoxy-2-adamantyl]ethyl]-1,8,8-trimethyl-3-azabicyclo[3.2.1]octane
CID 139643175

Frequently Asked Questions

What is the IUPAC name of (1S,3S)-5-methoxyadamantan-2-amine?
The IUPAC name of (1S,3S)-5-methoxyadamantan-2-amine (CID 99645706) is (1S,3S)-5-methoxyadamantan-2-amine.
What is the SMILES notation for (1S,3S)-5-methoxyadamantan-2-amine?
The canonical SMILES for (1S,3S)-5-methoxyadamantan-2-amine is COC12CC3C[C@@H](C1)C(N)[C@@H](C3)C2.
What is the InChIKey of (1S,3S)-5-methoxyadamantan-2-amine?
The InChIKey is AVCMRZFKXQGNGB-BJYFRKOGSA-N. The full InChI is InChI=1S/C11H19NO/c1-13-11-4-7-2-8(5-11)10(12)9(3-7)6-11/h7-10H,2-6,12H2,1H3/t7?,8-,9-,10?,11?/m0/s1.
What are the key properties of (1S,3S)-5-methoxyadamantan-2-amine?
(1S,3S)-5-methoxyadamantan-2-amine has a molecular weight of 181.28 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S)-5-methoxyadamantan-2-amine is sourced from PubChem (CID 99645706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).