1-[1-(dimethylamino)cyclohexyl]butan-1-ol

C12H25NO — CID 79066197

IUPAC1-[1-(dimethylamino)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C12H25NO/c1-4-8-11(14)12(13(2)3)9-6-5-7-10-12/h11,14H,4-10H2,1-3H3
InChIKeyRYVZEUGHKQWXJS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.41
Rot. Bonds4

About 1-[1-(dimethylamino)cyclohexyl]butan-1-ol

1-[1-(dimethylamino)cyclohexyl]butan-1-ol (PubChem CID 79066197) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[1-(dimethylamino)cyclohexyl]butan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)cyclohexyl]butan-1-ol
PubChem CID79066197
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[1-(dimethylamino)cyclohexyl]butan-1-ol
SMILESCCCC(O)C1(N(C)C)CCCCC1
InChIInChI=1S/C12H25NO/c1-4-8-11(14)12(13(2)3)9-6-5-7-10-12/h11,14H,4-10H2,1-3H3
InChIKeyRYVZEUGHKQWXJS-UHFFFAOYSA-N
XLogP2.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)cyclohexyl]butan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)cyclohexyl]butan-1-ol (CID 79066197) is 1-[1-(dimethylamino)cyclohexyl]butan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)cyclohexyl]butan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)cyclohexyl]butan-1-ol is CCCC(O)C1(N(C)C)CCCCC1.
What is the InChIKey of 1-[1-(dimethylamino)cyclohexyl]butan-1-ol?
The InChIKey is RYVZEUGHKQWXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-8-11(14)12(13(2)3)9-6-5-7-10-12/h11,14H,4-10H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)cyclohexyl]butan-1-ol?
1-[1-(dimethylamino)cyclohexyl]butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)cyclohexyl]butan-1-ol is sourced from PubChem (CID 79066197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).