(2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol

C13H21NO — CID 139549389

IUPAC(2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol
SMILESC=CC1=C(/C=C\C)C(C)(C)CC(O)[C@@H]1N
InChIInChI=1S/C13H21NO/c1-5-7-10-9(6-2)12(14)11(15)8-13(10,3)4/h5-7,11-12,15H,2,8,14H2,1,3-4H3/b7-5-/t11?,12-/m1/s1
InChIKeyQSHOQBNQIWEUHM-QVFXERNVSA-N
MW207.32 g/mol
LogP2.16
Rot. Bonds2

About (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol

(2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol (PubChem CID 139549389) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol
PubChem CID139549389
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol
SMILESC=CC1=C(/C=C\C)C(C)(C)CC(O)[C@@H]1N
InChIInChI=1S/C13H21NO/c1-5-7-10-9(6-2)12(14)11(15)8-13(10,3)4/h5-7,11-12,15H,2,8,14H2,1,3-4H3/b7-5-/t11?,12-/m1/s1
InChIKeyQSHOQBNQIWEUHM-QVFXERNVSA-N
XLogP2.16
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol?
The IUPAC name of (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol (CID 139549389) is (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol.
What is the SMILES notation for (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol?
The canonical SMILES for (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol is C=CC1=C(/C=C\C)C(C)(C)CC(O)[C@@H]1N.
What is the InChIKey of (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol?
The InChIKey is QSHOQBNQIWEUHM-QVFXERNVSA-N. The full InChI is InChI=1S/C13H21NO/c1-5-7-10-9(6-2)12(14)11(15)8-13(10,3)4/h5-7,11-12,15H,2,8,14H2,1,3-4H3/b7-5-/t11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol?
(2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]cyclohex-3-en-1-ol is sourced from PubChem (CID 139549389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).