N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine

C17H30N2 — CID 79738785

IUPACN-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
SMILESCCNC(CCCc1ccc(CC)cn1)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-6-14-11-12-15(19-13-14)9-8-10-16(18-7-2)17(3,4)5/h11-13,16,18H,6-10H2,1-5H3
InChIKeyPCPOZOBBGFGUCH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.99
Rot. Bonds7

About N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine

N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine (PubChem CID 79738785) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
PubChem CID79738785
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine
SMILESCCNC(CCCc1ccc(CC)cn1)C(C)(C)C
InChIInChI=1S/C17H30N2/c1-6-14-11-12-15(19-13-14)9-8-10-16(18-7-2)17(3,4)5/h11-13,16,18H,6-10H2,1-5H3
InChIKeyPCPOZOBBGFGUCH-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79738784
5-(5-ethyl-2-pyridinyl)-N-methylpentan-2-amine
CID 79737887
6-(5-ethyl-2-pyridinyl)-2-methylhexan-3-amine
CID 79737589
N-ethyl-2,2-dimethyl-6-phenylhexan-3-amine
CID 62600038
N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777204
N-ethyl-5-(5-ethyl-2-pyridinyl)-4,4-dimethylpentan-2-amine
CID 79738877
2-(4-chloro-4-cyclopropylbutyl)-5-ethylpyridine
CID 79738882
4-(5-ethyl-2-pyridinyl)butan-1-ol
CID 79737697
N-ethyl-2,2-dimethyl-6-(1,3-thiazol-2-yl)hexan-3-amine
CID 79823975
N-ethyl-1-(5-ethyl-2-pyridinyl)-4-phenylbutan-2-amine
CID 79732693
N-ethyl-1-(5-ethyl-2-pyridinyl)-5-methoxypentan-2-amine
CID 79748225
6-(5-bromo-2-pyridinyl)-N-ethyl-2-methylhexan-3-amine
CID 104812013

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine?
The IUPAC name of N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine (CID 79738785) is N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine.
What is the SMILES notation for N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine?
The canonical SMILES for N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine is CCNC(CCCc1ccc(CC)cn1)C(C)(C)C.
What is the InChIKey of N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine?
The InChIKey is PCPOZOBBGFGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-14-11-12-15(19-13-14)9-8-10-16(18-7-2)17(3,4)5/h11-13,16,18H,6-10H2,1-5H3.
What are the key properties of N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine?
N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine has a molecular weight of 262.44 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(5-ethyl-2-pyridinyl)-2,2-dimethylhexan-3-amine is sourced from PubChem (CID 79738785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).