3-[4-(methylamino)cyclohexyl]propan-1-ol

C10H21NO — CID 22236383

IUPAC3-[4-(methylamino)cyclohexyl]propan-1-ol
SMILESCNC1CCC(CCCO)CC1
InChIInChI=1S/C10H21NO/c1-11-10-6-4-9(5-7-10)3-2-8-12/h9-12H,2-8H2,1H3
InChIKeyHCCOEDZVKCMMEQ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.54
Rot. Bonds4

About 3-[4-(methylamino)cyclohexyl]propan-1-ol

3-[4-(methylamino)cyclohexyl]propan-1-ol (PubChem CID 22236383) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[4-(methylamino)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-(methylamino)cyclohexyl]propan-1-ol
PubChem CID22236383
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[4-(methylamino)cyclohexyl]propan-1-ol
SMILESCNC1CCC(CCCO)CC1
InChIInChI=1S/C10H21NO/c1-11-10-6-4-9(5-7-10)3-2-8-12/h9-12H,2-8H2,1H3
InChIKeyHCCOEDZVKCMMEQ-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methylamino)cyclohexyl]propan-1-ol?
The IUPAC name of 3-[4-(methylamino)cyclohexyl]propan-1-ol (CID 22236383) is 3-[4-(methylamino)cyclohexyl]propan-1-ol.
What is the SMILES notation for 3-[4-(methylamino)cyclohexyl]propan-1-ol?
The canonical SMILES for 3-[4-(methylamino)cyclohexyl]propan-1-ol is CNC1CCC(CCCO)CC1.
What is the InChIKey of 3-[4-(methylamino)cyclohexyl]propan-1-ol?
The InChIKey is HCCOEDZVKCMMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-11-10-6-4-9(5-7-10)3-2-8-12/h9-12H,2-8H2,1H3.
What are the key properties of 3-[4-(methylamino)cyclohexyl]propan-1-ol?
3-[4-(methylamino)cyclohexyl]propan-1-ol has a molecular weight of 171.28 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 3-[4-(methylamino)cyclohexyl]propan-1-ol is sourced from PubChem (CID 22236383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).