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

C14H29NO — CID 2947542

IUPAC2-[(4-tert-butylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-12(10-16)15-13-8-6-11(7-9-13)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeySGGLIDLFSHTYNW-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds4

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

2-[(4-tert-butylcyclohexyl)amino]butan-1-ol (PubChem CID 2947542) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-tert-butylcyclohexyl)amino]butan-1-ol
PubChem CID2947542
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(4-tert-butylcyclohexyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H29NO/c1-5-12(10-16)15-13-8-6-11(7-9-13)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3
InChIKeySGGLIDLFSHTYNW-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
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]butan-1-ol?
The IUPAC name of 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol (CID 2947542) is 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol is CCC(CO)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol?
The InChIKey is SGGLIDLFSHTYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-12(10-16)15-13-8-6-11(7-9-13)14(2,3)4/h11-13,15-16H,5-10H2,1-4H3.
What are the key properties of 2-[(4-tert-butylcyclohexyl)amino]butan-1-ol?
2-[(4-tert-butylcyclohexyl)amino]butan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 4 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]butan-1-ol is sourced from PubChem (CID 2947542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).