1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol

C15H31NO — CID 71071088

IUPAC1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol
SMILESCCCC(O)N(C)C1CCCCC1C(C)CC
InChIInChI=1S/C15H31NO/c1-5-9-15(17)16(4)14-11-8-7-10-13(14)12(3)6-2/h12-15,17H,5-11H2,1-4H3
InChIKeyTWYKFLHHDQMTLT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.64
Rot. Bonds6

About 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol

1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol (PubChem CID 71071088) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol.

Molecular Properties

Compound Name1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol
PubChem CID71071088
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol
SMILESCCCC(O)N(C)C1CCCCC1C(C)CC
InChIInChI=1S/C15H31NO/c1-5-9-15(17)16(4)14-11-8-7-10-13(14)12(3)6-2/h12-15,17H,5-11H2,1-4H3
InChIKeyTWYKFLHHDQMTLT-UHFFFAOYSA-N
XLogP3.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol?
The IUPAC name of 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol (CID 71071088) is 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol.
What is the SMILES notation for 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol?
The canonical SMILES for 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol is CCCC(O)N(C)C1CCCCC1C(C)CC.
What is the InChIKey of 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol?
The InChIKey is TWYKFLHHDQMTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-9-15(17)16(4)14-11-8-7-10-13(14)12(3)6-2/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol?
1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-butan-2-ylcyclohexyl)-methylamino]butan-1-ol is sourced from PubChem (CID 71071088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).