3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol

C16H33NO — CID 65107819

IUPAC3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-16(18,7-2)12-17-14-10-8-13(9-11-14)15(3,4)5/h13-14,17-18H,6-12H2,1-5H3
InChIKeyUFYJKJAZTTYXML-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.73
Rot. Bonds5

About 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol

3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol (PubChem CID 65107819) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol
PubChem CID65107819
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-6-16(18,7-2)12-17-14-10-8-13(9-11-14)15(3,4)5/h13-14,17-18H,6-12H2,1-5H3
InChIKeyUFYJKJAZTTYXML-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
CID 62060186
2-cyclopropyl-1-(cyclopropylamino)butan-2-ol
CID 64919587
3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105869
1-[(4-tert-butylcyclohexyl)amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 103699660
2-[[(4-tert-butylcycloheptyl)amino]methyl]-2-ethylbutan-1-ol
CID 106252194
N-(2-cyclopropyl-2-methylbutyl)cyclopropanamine
CID 83160155
N-(2-cyclopropyl-2-methylpentyl)cyclopropanamine
CID 83159526
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156
N-(2-bromoethyl)-4-tert-butylcyclohexan-1-amine
CID 8024756

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol (CID 65107819) is 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol?
The InChIKey is UFYJKJAZTTYXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-16(18,7-2)12-17-14-10-8-13(9-11-14)15(3,4)5/h13-14,17-18H,6-12H2,1-5H3.
What are the key properties of 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol?
3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol has a molecular weight of 255.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65107819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).