5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine

C15H24N2 — CID 54861215

IUPAC5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cccnc2)C1
InChIInChI=1S/C15H24N2/c1-11(2)14-7-6-12(3)9-15(14,16)13-5-4-8-17-10-13/h4-5,8,10-12,14H,6-7,9,16H2,1-3H3
InChIKeyMTIHITNDQKSKEL-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.33
Rot. Bonds2

About 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine

5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine (PubChem CID 54861215) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine
PubChem CID54861215
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(N)(c2cccnc2)C1
InChIInChI=1S/C15H24N2/c1-11(2)14-7-6-12(3)9-15(14,16)13-5-4-8-17-10-13/h4-5,8,10-12,14H,6-7,9,16H2,1-3H3
InChIKeyMTIHITNDQKSKEL-UHFFFAOYSA-N
XLogP3.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine (CID 54861215) is 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(N)(c2cccnc2)C1.
What is the InChIKey of 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine?
The InChIKey is MTIHITNDQKSKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)14-7-6-12(3)9-15(14,16)13-5-4-8-17-10-13/h4-5,8,10-12,14H,6-7,9,16H2,1-3H3.
What are the key properties of 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine?
5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-1-pyridin-3-ylcyclohexan-1-amine is sourced from PubChem (CID 54861215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).