4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol

C16H33NO — CID 165498702

IUPAC4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
SMILESCCCN(CCC)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C16H33NO/c1-6-10-17(11-7-2)15-12-13(18)8-9-14(15)16(3,4)5/h13-15,18H,6-12H2,1-5H3
InChIKeyNMYHBKRMUQKKBE-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.68
Rot. Bonds5

About 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol

4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol (PubChem CID 165498702) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
PubChem CID165498702
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol
SMILESCCCN(CCC)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C16H33NO/c1-6-10-17(11-7-2)15-12-13(18)8-9-14(15)16(3,4)5/h13-15,18H,6-12H2,1-5H3
InChIKeyNMYHBKRMUQKKBE-UHFFFAOYSA-N
XLogP3.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-3-(diethylamino)cyclohexan-1-ol
CID 165491972
4-tert-butyl-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 165498179
4-tert-butyl-3-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 165498706
4-tert-butyl-3-[2-methoxyethyl(methyl)amino]cyclohexan-1-ol
CID 165498695
3-[cyclopropyl(propyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165498480
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
CID 165491996
4-tert-butyl-3-[cyclobutylmethyl(methyl)amino]cyclohexan-1-ol
CID 165498697
trans-(1R,2R)-2-(dipropylamino)cyclobutan-1-ol
CID 131701504
3-[ethyl(methyl)amino]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 165491462
4-tert-butyl-3-(ethylamino)cyclohexan-1-ol
CID 165490862
(1R,2S,4R)-2-tert-butylcyclohexane-1,4-diol
CID 124526361
3-[ethyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496311

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol (CID 165498702) is 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol is CCCN(CCC)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol?
The InChIKey is NMYHBKRMUQKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-10-17(11-7-2)15-12-13(18)8-9-14(15)16(3,4)5/h13-15,18H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol?
4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-(dipropylamino)cyclohexan-1-ol is sourced from PubChem (CID 165498702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).