[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol

C8H15NO — CID 18389676

IUPAC[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
SMILESN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO
InChIInChI=1S/C8H15NO/c9-8-6-2-1-5(3-6)7(8)4-10/h5-8,10H,1-4,9H2/t5-,6-,7-,8+/m0/s1
InChIKeyQGMMKSUHQMVLRO-DKXJUACHSA-N
MW141.21 g/mol
LogP0.35
Rot. Bonds1

About [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol

[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol (PubChem CID 18389676) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
PubChem CID18389676
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol
SMILESN[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO
InChIInChI=1S/C8H15NO/c9-8-6-2-1-5(3-6)7(8)4-10/h5-8,10H,1-4,9H2/t5-,6-,7-,8+/m0/s1
InChIKeyQGMMKSUHQMVLRO-DKXJUACHSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol with MolForge

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Related Compounds

(1R,2S,3S,4S)-3-ethylbicyclo[2.2.1]heptan-2-amine
CID 167142700
3-ethylbicyclo[2.2.1]heptan-2-amine
CID 20590601
[(1R,3S,6R,8S)-5-(hydroxymethyl)-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl]methanol
CID 11031451
tricyclo[4.2.1.12,4]decan-5-amine
CID 123976925
7-(3-amino-2-bicyclo[2.2.1]heptanyl)heptanoic acid
CID 18377070
[(1S,7R)-4-bicyclo[5.1.0]octanyl]methanol
CID 130624155
8-bicyclo[3.2.1]octanylmethanol
CID 115011380
[(1S,2R,3R,4R)-3-(aminomethyl)-2-bicyclo[2.2.1]heptanyl]methanamine
CID 11309632
[3-(cyclobutylamino)-2-bicyclo[2.2.1]heptanyl]methanol
CID 130671349
[(1R,3R,4S)-3-[3-[(1R,2S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]cyclopentyl]-2-bicyclo[2.2.1]hept-5-enyl]methanol
CID 59062195
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
5-(hydroxymethyl)tricyclo[4.4.0.03,8]decan-4-ol
CID 556377

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol?
The IUPAC name of [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol (CID 18389676) is [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol.
What is the SMILES notation for [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol?
The canonical SMILES for [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol is N[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1CO.
What is the InChIKey of [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol?
The InChIKey is QGMMKSUHQMVLRO-DKXJUACHSA-N. The full InChI is InChI=1S/C8H15NO/c9-8-6-2-1-5(3-6)7(8)4-10/h5-8,10H,1-4,9H2/t5-,6-,7-,8+/m0/s1.
What are the key properties of [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol?
[(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol has a molecular weight of 141.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3R,4S)-3-amino-2-bicyclo[2.2.1]heptanyl]methanol is sourced from PubChem (CID 18389676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).