2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine

C16H28N2 — CID 71203343

IUPAC2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
SMILESCC(C)C(C)(C)CC(C)(C)C(N)c1ccccn1
InChIInChI=1S/C16H28N2/c1-12(2)15(3,4)11-16(5,6)14(17)13-9-7-8-10-18-13/h7-10,12,14H,11,17H2,1-6H3
InChIKeyWDDDZQGCGBXOOR-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.18
Rot. Bonds5

About 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine

2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine (PubChem CID 71203343) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine.

Molecular Properties

Compound Name2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
PubChem CID71203343
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
SMILESCC(C)C(C)(C)CC(C)(C)C(N)c1ccccn1
InChIInChI=1S/C16H28N2/c1-12(2)15(3,4)11-16(5,6)14(17)13-9-7-8-10-18-13/h7-10,12,14H,11,17H2,1-6H3
InChIKeyWDDDZQGCGBXOOR-UHFFFAOYSA-N
XLogP4.18
TPSA38.91 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

3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine
CID 71203351
2-N,2-dimethyl-1-pyridin-2-ylpropane-1,2-diamine
CID 116938957
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
(3R)-3-pyridin-2-ylbutan-2-amine
CID 140704268
(1R,2S)-1-pyridin-2-ylpropane-1,2-diamine
CID 131142947
N-methylmethanamine;1-pyridin-2-ylethanamine
CID 143812006
(1R)-2-methyl-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 86767543
2-pyridin-2-ylpropan-1-amine
CID 21481533
3-amino-1-pyridin-2-ylbutan-1-ol
CID 151032283
2-(2,2,3-trimethylbutoxy)pyridine
CID 59019418

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine?
The IUPAC name of 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine (CID 71203343) is 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine.
What is the SMILES notation for 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine?
The canonical SMILES for 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine is CC(C)C(C)(C)CC(C)(C)C(N)c1ccccn1.
What is the InChIKey of 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine?
The InChIKey is WDDDZQGCGBXOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-12(2)15(3,4)11-16(5,6)14(17)13-9-7-8-10-18-13/h7-10,12,14H,11,17H2,1-6H3.
What are the key properties of 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine?
2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-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 2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine is sourced from PubChem (CID 71203343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).