1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C15H31NO — CID 85389805

IUPAC1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCCN(C)C)C1
InChIInChI=1S/C15H31NO/c1-12(2)14-8-7-13(3)11-15(14,17)9-6-10-16(4)5/h12-14,17H,6-11H2,1-5H3
InChIKeyLMEHWLJVSHFNKQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.15
Rot. Bonds5

About 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 85389805) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID85389805
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC1CCC(C(C)C)C(O)(CCCN(C)C)C1
InChIInChI=1S/C15H31NO/c1-12(2)14-8-7-13(3)11-15(14,17)9-6-10-16(4)5/h12-14,17H,6-11H2,1-5H3
InChIKeyLMEHWLJVSHFNKQ-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 85389805) is 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC1CCC(C(C)C)C(O)(CCCN(C)C)C1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is LMEHWLJVSHFNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(2)14-8-7-13(3)11-15(14,17)9-6-10-16(4)5/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 85389805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).