4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine

C15H24N2 — CID 54861250

IUPAC4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(c2cccnc2)CC1
InChIInChI=1S/C15H24N2/c1-14(2,3)12-6-8-15(16,9-7-12)13-5-4-10-17-11-13/h4-5,10-12H,6-9,16H2,1-3H3
InChIKeyRLIMDBVSCBWSBO-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.47
Rot. Bonds1

About 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine

4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine (PubChem CID 54861250) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
PubChem CID54861250
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)(c2cccnc2)CC1
InChIInChI=1S/C15H24N2/c1-14(2,3)12-6-8-15(16,9-7-12)13-5-4-10-17-11-13/h4-5,10-12H,6-9,16H2,1-3H3
InChIKeyRLIMDBVSCBWSBO-UHFFFAOYSA-N
XLogP3.47
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine (CID 54861250) is 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine is CC(C)(C)C1CCC(N)(c2cccnc2)CC1.
What is the InChIKey of 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine?
The InChIKey is RLIMDBVSCBWSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2,3)12-6-8-15(16,9-7-12)13-5-4-10-17-11-13/h4-5,10-12H,6-9,16H2,1-3H3.
What are the key properties of 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine?
4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-pyridin-3-ylcyclohexan-1-amine is sourced from PubChem (CID 54861250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).