3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine

C16H26N2 — CID 103961175

IUPAC3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine
SMILESCc1ccc(C2(N)CC(C)(C)CC(C)(C)C2)cn1
InChIInChI=1S/C16H26N2/c1-12-6-7-13(8-18-12)16(17)10-14(2,3)9-15(4,5)11-16/h6-8H,9-11,17H2,1-5H3
InChIKeyAXPIAPLDDBIECE-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.78
Rot. Bonds1

About 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine

3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine (PubChem CID 103961175) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine
PubChem CID103961175
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine
SMILESCc1ccc(C2(N)CC(C)(C)CC(C)(C)C2)cn1
InChIInChI=1S/C16H26N2/c1-12-6-7-13(8-18-12)16(17)10-14(2,3)9-15(4,5)11-16/h6-8H,9-11,17H2,1-5H3
InChIKeyAXPIAPLDDBIECE-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine (CID 103961175) is 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine is Cc1ccc(C2(N)CC(C)(C)CC(C)(C)C2)cn1.
What is the InChIKey of 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine?
The InChIKey is AXPIAPLDDBIECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-6-7-13(8-18-12)16(17)10-14(2,3)9-15(4,5)11-16/h6-8H,9-11,17H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine?
3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-(6-methyl-3-pyridinyl)cyclohexan-1-amine is sourced from PubChem (CID 103961175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).