1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol

C13H27NO — CID 123390434

IUPAC1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol
SMILESCCN(C)C1CCC(C(O)C(C)C)CC1
InChIInChI=1S/C13H27NO/c1-5-14(4)12-8-6-11(7-9-12)13(15)10(2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyXDBILZLAZLAALZ-UHFFFAOYSA-N
MW213.37 g/mol
LogP2.51
Rot. Bonds4

About 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol

1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol (PubChem CID 123390434) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol
PubChem CID123390434
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol
SMILESCCN(C)C1CCC(C(O)C(C)C)CC1
InChIInChI=1S/C13H27NO/c1-5-14(4)12-8-6-11(7-9-12)13(15)10(2)3/h10-13,15H,5-9H2,1-4H3
InChIKeyXDBILZLAZLAALZ-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol?
The IUPAC name of 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol (CID 123390434) is 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol.
What is the SMILES notation for 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol?
The canonical SMILES for 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol is CCN(C)C1CCC(C(O)C(C)C)CC1.
What is the InChIKey of 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol?
The InChIKey is XDBILZLAZLAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-14(4)12-8-6-11(7-9-12)13(15)10(2)3/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol?
1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol has a molecular weight of 213.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[ethyl(methyl)amino]cyclohexyl]-2-methylpropan-1-ol is sourced from PubChem (CID 123390434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).