1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine

C15H24N2 — CID 107450114

IUPAC1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCc1ccncc1C1(N)CCCC(C(C)C)C1
InChIInChI=1S/C15H24N2/c1-11(2)13-5-4-7-15(16,9-13)14-10-17-8-6-12(14)3/h6,8,10-11,13H,4-5,7,9,16H2,1-3H3
InChIKeyPFGHYGQKOJHSQA-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.39
Rot. Bonds2

About 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine

1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107450114) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107450114
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine
SMILESCc1ccncc1C1(N)CCCC(C(C)C)C1
InChIInChI=1S/C15H24N2/c1-11(2)13-5-4-7-15(16,9-13)14-10-17-8-6-12(14)3/h6,8,10-11,13H,4-5,7,9,16H2,1-3H3
InChIKeyPFGHYGQKOJHSQA-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine (CID 107450114) is 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine is Cc1ccncc1C1(N)CCCC(C(C)C)C1.
What is the InChIKey of 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is PFGHYGQKOJHSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)13-5-4-7-15(16,9-13)14-10-17-8-6-12(14)3/h6,8,10-11,13H,4-5,7,9,16H2,1-3H3.
What are the key properties of 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine?
1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-pyridinyl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107450114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).