2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine

C16H26N2 — CID 114698950

IUPAC2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cnccc1CNC1CCC(C)(C)CC1C
InChIInChI=1S/C16H26N2/c1-12-9-16(3,4)7-5-15(12)18-11-14-6-8-17-10-13(14)2/h6,8,10,12,15,18H,5,7,9,11H2,1-4H3
InChIKeyYDCKFROVGQEIHB-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.69
Rot. Bonds3

About 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine (PubChem CID 114698950) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine
PubChem CID114698950
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine
SMILESCc1cnccc1CNC1CCC(C)(C)CC1C
InChIInChI=1S/C16H26N2/c1-12-9-16(3,4)7-5-15(12)18-11-14-6-8-17-10-13(14)2/h6,8,10,12,15,18H,5,7,9,11H2,1-4H3
InChIKeyYDCKFROVGQEIHB-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine (CID 114698950) is 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine is Cc1cnccc1CNC1CCC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine?
The InChIKey is YDCKFROVGQEIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-9-16(3,4)7-5-15(12)18-11-14-6-8-17-10-13(14)2/h6,8,10,12,15,18H,5,7,9,11H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 114698950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).