3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol

C10H21NO — CID 89249100

IUPAC3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol
SMILESCC1CC(C)C1N(C)CCCO
InChIInChI=1S/C10H21NO/c1-8-7-9(2)10(8)11(3)5-4-6-12/h8-10,12H,4-7H2,1-3H3
InChIKeyAVJJCULCOZOFPL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.35
Rot. Bonds4

About 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol

3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol (PubChem CID 89249100) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol
PubChem CID89249100
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol
SMILESCC1CC(C)C1N(C)CCCO
InChIInChI=1S/C10H21NO/c1-8-7-9(2)10(8)11(3)5-4-6-12/h8-10,12H,4-7H2,1-3H3
InChIKeyAVJJCULCOZOFPL-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol?
The IUPAC name of 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol (CID 89249100) is 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol.
What is the SMILES notation for 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol?
The canonical SMILES for 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol is CC1CC(C)C1N(C)CCCO.
What is the InChIKey of 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol?
The InChIKey is AVJJCULCOZOFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-8-7-9(2)10(8)11(3)5-4-6-12/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol?
3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol has a molecular weight of 171.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylcyclobutyl)-methylamino]propan-1-ol is sourced from PubChem (CID 89249100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).