4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol

C15H31NO — CID 91251733

IUPAC4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol
SMILESCN(CCCCO)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-15(2,3)13-7-9-14(10-8-13)16(4)11-5-6-12-17/h13-14,17H,5-12H2,1-4H3
InChIKeyLWRXFPXEIJXXSV-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.30
Rot. Bonds5

About 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol

4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol (PubChem CID 91251733) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol
PubChem CID91251733
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol
SMILESCN(CCCCO)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H31NO/c1-15(2,3)13-7-9-14(10-8-13)16(4)11-5-6-12-17/h13-14,17H,5-12H2,1-4H3
InChIKeyLWRXFPXEIJXXSV-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(4-tert-butylcyclohexyl)piperidin-3-ol
CID 26458259
4-[Methyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 61593215
4-[(2-Butan-2-ylcyclohexyl)-methylamino]butan-1-ol
CID 71071082
4-[(2-Butylcyclohexyl)-methylamino]butan-1-ol
CID 71071083
1-[(2-Butan-2-ylcyclohexyl)-methylamino]butan-1-ol
CID 71071088
4-[Ethyl-(2-methylcyclohexyl)amino]butan-1-ol
CID 71071089
4-[Methyl-(2-propylcycloheptyl)amino]butan-1-ol
CID 71071158
4-[(2,2-Dimethylcycloheptyl)-methylamino]butan-1-ol
CID 71071230
1-[(2,2-Dimethylcycloheptyl)-methylamino]butan-1-ol
CID 71071234
4-[(2,6-Dimethylcyclohexyl)-methylamino]butan-1-ol
CID 71071235
1-[(2,6-Dimethylcyclohexyl)-methylamino]butan-1-ol
CID 71071239
4-[Methyl-(2-propan-2-ylcycloheptyl)amino]butan-1-ol
CID 71071254

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol?
The IUPAC name of 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol (CID 91251733) is 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol.
What is the SMILES notation for 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol?
The canonical SMILES for 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol is CN(CCCCO)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol?
The InChIKey is LWRXFPXEIJXXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-15(2,3)13-7-9-14(10-8-13)16(4)11-5-6-12-17/h13-14,17H,5-12H2,1-4H3.
What are the key properties of 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol?
4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylcyclohexyl)-methylamino]butan-1-ol is sourced from PubChem (CID 91251733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).