2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol

C16H33NO — CID 61242205

IUPAC2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)10-15(11-18)17-14-8-6-13(7-9-14)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3
InChIKeyXMHNBZMESJBHGO-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.59
Rot. Bonds5

About 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol

2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol (PubChem CID 61242205) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
PubChem CID61242205
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
SMILESCC(C)CC(CO)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33NO/c1-12(2)10-15(11-18)17-14-8-6-13(7-9-14)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3
InChIKeyXMHNBZMESJBHGO-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol (CID 61242205) is 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol is CC(C)CC(CO)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol?
The InChIKey is XMHNBZMESJBHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-12(2)10-15(11-18)17-14-8-6-13(7-9-14)16(3,4)5/h12-15,17-18H,6-11H2,1-5H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol?
2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 61242205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).