2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine

C17H36N2 — CID 63465976

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
SMILESCCCCCCC(C)(CN)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H36N2/c1-5-7-8-9-10-17(4,15-18)19-13-11-16(3,6-2)12-14-19/h5-15,18H2,1-4H3
InChIKeyBYOBMSPOATXTMI-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.19
Rot. Bonds8

About 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine

2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine (PubChem CID 63465976) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
PubChem CID63465976
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine
SMILESCCCCCCC(C)(CN)N1CCC(C)(CC)CC1
InChIInChI=1S/C17H36N2/c1-5-7-8-9-10-17(4,15-18)19-13-11-16(3,6-2)12-14-19/h5-15,18H2,1-4H3
InChIKeyBYOBMSPOATXTMI-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-dimethylpiperidin-1-yl)-2-methylheptan-1-amine
CID 80557474
2-(8-azaspiro[4.5]decan-8-yl)-2-methylheptan-1-amine
CID 80557366
2-(4-tert-butylpiperidin-1-yl)-2-methylnonan-1-amine
CID 63465793
2-methyl-2-(4-propan-2-ylpiperidin-1-yl)nonan-1-amine
CID 103494824
2-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-amine
CID 63157057
2-methyl-2-(4-propylpiperidin-1-yl)heptan-1-amine
CID 80557657
2-(4,4-diethylpiperidin-1-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535294
2-(3,4-dimethylpyrrolidin-1-yl)-2-methylheptan-1-amine
CID 80557534
1-(7-methyltridecan-7-yl)pyrrolidine
CID 131990775
2-(3-methoxypyrrolidin-1-yl)-2-methylheptan-1-amine
CID 103531540
2-(2,6-dimethylmorpholin-4-yl)-2-methyloctan-1-amine
CID 43089493
2-methyl-2-(2-methylmorpholin-4-yl)nonan-1-amine
CID 43130140

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine (CID 63465976) is 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine is CCCCCCC(C)(CN)N1CCC(C)(CC)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine?
The InChIKey is BYOBMSPOATXTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-5-7-8-9-10-17(4,15-18)19-13-11-16(3,6-2)12-14-19/h5-15,18H2,1-4H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine?
2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)-2-methyloctan-1-amine is sourced from PubChem (CID 63465976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).