4-[(2-butylcyclohexyl)-methylamino]butan-1-ol

C15H31NO — CID 71071083

IUPAC4-[(2-butylcyclohexyl)-methylamino]butan-1-ol
SMILESCCCCC1CCCCC1N(C)CCCCO
InChIInChI=1S/C15H31NO/c1-3-4-9-14-10-5-6-11-15(14)16(2)12-7-8-13-17/h14-15,17H,3-13H2,1-2H3
InChIKeyKQHIGKIGTCESDX-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.44
Rot. Bonds8

About 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol

4-[(2-butylcyclohexyl)-methylamino]butan-1-ol (PubChem CID 71071083) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol.

Molecular Properties

Compound Name4-[(2-butylcyclohexyl)-methylamino]butan-1-ol
PubChem CID71071083
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name4-[(2-butylcyclohexyl)-methylamino]butan-1-ol
SMILESCCCCC1CCCCC1N(C)CCCCO
InChIInChI=1S/C15H31NO/c1-3-4-9-14-10-5-6-11-15(14)16(2)12-7-8-13-17/h14-15,17H,3-13H2,1-2H3
InChIKeyKQHIGKIGTCESDX-UHFFFAOYSA-N
XLogP3.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.44
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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Frequently Asked Questions

What is the IUPAC name of 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol?
The IUPAC name of 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol (CID 71071083) is 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol.
What is the SMILES notation for 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol?
The canonical SMILES for 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol is CCCCC1CCCCC1N(C)CCCCO.
What is the InChIKey of 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol?
The InChIKey is KQHIGKIGTCESDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-9-14-10-5-6-11-15(14)16(2)12-7-8-13-17/h14-15,17H,3-13H2,1-2H3.
What are the key properties of 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol?
4-[(2-butylcyclohexyl)-methylamino]butan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butylcyclohexyl)-methylamino]butan-1-ol is sourced from PubChem (CID 71071083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).