4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol

C10H20N2O — CID 135214153

IUPAC4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol
SMILESCN[C@H](CN)CC1CC=C(O)CC1
InChIInChI=1S/C10H20N2O/c1-12-9(7-11)6-8-2-4-10(13)5-3-8/h4,8-9,12-13H,2-3,5-7,11H2,1H3/t8?,9-/m0/s1
InChIKeyUCANNWRUSDNUOB-GKAPJAKFSA-N
MW184.28 g/mol
LogP1.17
Rot. Bonds4

About 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol

4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol (PubChem CID 135214153) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol.

Molecular Properties

Compound Name4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol
PubChem CID135214153
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol
SMILESCN[C@H](CN)CC1CC=C(O)CC1
InChIInChI=1S/C10H20N2O/c1-12-9(7-11)6-8-2-4-10(13)5-3-8/h4,8-9,12-13H,2-3,5-7,11H2,1H3/t8?,9-/m0/s1
InChIKeyUCANNWRUSDNUOB-GKAPJAKFSA-N
XLogP1.17
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol?
The IUPAC name of 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol (CID 135214153) is 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol.
What is the SMILES notation for 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol?
The canonical SMILES for 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol is CN[C@H](CN)CC1CC=C(O)CC1.
What is the InChIKey of 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol?
The InChIKey is UCANNWRUSDNUOB-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12-9(7-11)6-8-2-4-10(13)5-3-8/h4,8-9,12-13H,2-3,5-7,11H2,1H3/t8?,9-/m0/s1.
What are the key properties of 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol?
4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-amino-2-(methylamino)propyl]cyclohexen-1-ol is sourced from PubChem (CID 135214153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).