N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine

C16H28N2 — CID 79738877

IUPACN-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(CC)cn1
InChIInChI=1S/C16H28N2/c1-6-14-8-9-15(18-12-14)11-16(4,5)10-13(3)17-7-2/h8-9,12-13,17H,6-7,10-11H2,1-5H3
InChIKeyXTUZSNGADGPFES-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.60
Rot. Bonds7

About N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine

N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine (PubChem CID 79738877) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine
PubChem CID79738877
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine
SMILESCCNC(C)CC(C)(C)Cc1ccc(CC)cn1
InChIInChI=1S/C16H28N2/c1-6-14-8-9-15(18-12-14)11-16(4,5)10-13(3)17-7-2/h8-9,12-13,17H,6-7,10-11H2,1-5H3
InChIKeyXTUZSNGADGPFES-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717640
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-methylpentan-2-amine
CID 79748669
N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
CID 79738785
2-(4-ethylphenyl)-1-(5-ethyl-2-pyridinyl)propan-2-ol
CID 79739586
N-ethyl-6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79738784
1-(5-ethyl-2-pyridinyl)-4,5,5-trimethyl-N-propylhexan-2-amine
CID 105014705
N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
CID 64717868
2-N-ethyl-3-(5-ethyl-2-pyridinyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79748096
5-(3-bromophenyl)-N-ethyl-4,4-dimethylpentan-2-amine
CID 64717647
N-ethyl-1-(1-ethylcyclopentyl)-2-(5-ethyl-2-pyridinyl)ethanamine
CID 105014613
1-(5-ethyl-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79954795
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxyhexan-2-amine
CID 105168893

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine?
The IUPAC name of N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine (CID 79738877) is N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine?
The canonical SMILES for N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine is CCNC(C)CC(C)(C)Cc1ccc(CC)cn1.
What is the InChIKey of N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine?
The InChIKey is XTUZSNGADGPFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-6-14-8-9-15(18-12-14)11-16(4,5)10-13(3)17-7-2/h8-9,12-13,17H,6-7,10-11H2,1-5H3.
What are the key properties of N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine?
N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine has a molecular weight of 248.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine is sourced from PubChem (CID 79738877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).