(2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol

C11H24N2O — CID 54379945

IUPAC(2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol
SMILESCNC[C@@]1(C[C@H](C)O)CCCCC1N
InChIInChI=1S/C11H24N2O/c1-9(14)7-11(8-13-2)6-4-3-5-10(11)12/h9-10,13-14H,3-8,12H2,1-2H3/t9-,10?,11-/m0/s1
InChIKeyUZFBEPYCGNMWNM-JRUYECLLSA-N
MW200.33 g/mol
LogP0.86
Rot. Bonds4

About (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol

(2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol (PubChem CID 54379945) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol
PubChem CID54379945
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name(2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol
SMILESCNC[C@@]1(C[C@H](C)O)CCCCC1N
InChIInChI=1S/C11H24N2O/c1-9(14)7-11(8-13-2)6-4-3-5-10(11)12/h9-10,13-14H,3-8,12H2,1-2H3/t9-,10?,11-/m0/s1
InChIKeyUZFBEPYCGNMWNM-JRUYECLLSA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol?
The IUPAC name of (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol (CID 54379945) is (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol?
The canonical SMILES for (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol is CNC[C@@]1(C[C@H](C)O)CCCCC1N.
What is the InChIKey of (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol?
The InChIKey is UZFBEPYCGNMWNM-JRUYECLLSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(14)7-11(8-13-2)6-4-3-5-10(11)12/h9-10,13-14H,3-8,12H2,1-2H3/t9-,10?,11-/m0/s1.
What are the key properties of (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol?
(2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol has a molecular weight of 200.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1S)-2-amino-1-(methylaminomethyl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 54379945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).