(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol

C11H21NO — CID 98118353

IUPAC(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
SMILESC[C@H](O)CCN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C11H21NO/c1-8(13)4-5-12-11-7-9-2-3-10(11)6-9/h8-13H,2-7H2,1H3/t8-,9+,10+,11+/m0/s1
InChIKeyPSTGKYSSRJDEKK-LNFKQOIKSA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds4

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

(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol (PubChem CID 98118353) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol.

Molecular Properties

Compound Name(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
PubChem CID98118353
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol
SMILESC[C@H](O)CCN[C@@H]1C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C11H21NO/c1-8(13)4-5-12-11-7-9-2-3-10(11)6-9/h8-13H,2-7H2,1H3/t8-,9+,10+,11+/m0/s1
InChIKeyPSTGKYSSRJDEKK-LNFKQOIKSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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Related Compounds

(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
1-(2-bicyclo[2.2.1]heptanylamino)-3-methylbutan-2-ol
CID 115886357
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
4-[(2-methylcyclopentyl)amino]butan-2-ol
CID 65046023
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
(2R)-4-[[(1S,2S)-2-methylcyclohexyl]amino]butan-2-ol
CID 96784141
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
6-(2-bicyclo[2.2.1]heptanylamino)hexan-1-ol
CID 115906734
N'-(2-bicyclo[2.2.1]heptanyl)propane-1,3-diamine
CID 61309746
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2S)-2-hydroxypropyl]thiourea
CID 11859375

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
The IUPAC name of (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol (CID 98118353) is (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol.
What is the SMILES notation for (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
The canonical SMILES for (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol is C[C@H](O)CCN[C@@H]1C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
The InChIKey is PSTGKYSSRJDEKK-LNFKQOIKSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(13)4-5-12-11-7-9-2-3-10(11)6-9/h8-13H,2-7H2,1H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol?
(2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]amino]butan-2-ol is sourced from PubChem (CID 98118353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).