1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine

C16H28N2 — CID 114210054

IUPAC1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine
SMILESCNC(CCCC(C)(C)C)c1cc(C)nc(C)c1
InChIInChI=1S/C16H28N2/c1-12-10-14(11-13(2)18-12)15(17-6)8-7-9-16(3,4)5/h10-11,15,17H,7-9H2,1-6H3
InChIKeyVCSIQTOKCOWWTD-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.18
Rot. Bonds5

About 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine

1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine (PubChem CID 114210054) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine
PubChem CID114210054
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine
SMILESCNC(CCCC(C)(C)C)c1cc(C)nc(C)c1
InChIInChI=1S/C16H28N2/c1-12-10-14(11-13(2)18-12)15(17-6)8-7-9-16(3,4)5/h10-11,15,17H,7-9H2,1-6H3
InChIKeyVCSIQTOKCOWWTD-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethyl-4-pyridinyl)-N-methylbutan-1-amine
CID 107503528
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-4-phenylbutan-1-amine
CID 107503560
1-(2,6-dimethyl-4-pyridinyl)-N-methylpropan-1-amine
CID 107503443
1-(2,6-dimethyl-4-pyridinyl)-3-ethyl-N-methylpentan-1-amine
CID 107503549
1-(2-fluoro-4-methylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114210914
[5,5-dimethyl-1-(3,4,5-trifluorophenyl)hexyl]hydrazine
CID 114211448
1-(2,6-dimethyl-4-pyridinyl)-N-ethylhexan-1-amine
CID 107503711
[1-(2,6-dimethyl-4-pyridinyl)-4-methoxy-4-methylpentyl]hydrazine
CID 107504862
2-cyclopentyl-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503517
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105024334
2-(2,6-dichlorophenyl)-1-(2,6-dimethyl-4-pyridinyl)-N-methylethanamine
CID 107503368
1-(2-ethylphenyl)-N,5,5-trimethylhexan-1-amine
CID 114211088

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine (CID 114210054) is 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine is CNC(CCCC(C)(C)C)c1cc(C)nc(C)c1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine?
The InChIKey is VCSIQTOKCOWWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12-10-14(11-13(2)18-12)15(17-6)8-7-9-16(3,4)5/h10-11,15,17H,7-9H2,1-6H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine?
1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine has a molecular weight of 248.41 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-N,5,5-trimethylhexan-1-amine is sourced from PubChem (CID 114210054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).