N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine

C29H60N2 — CID 166678849

IUPACN-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine
SMILESCCCCCCC(CCCCCC)CN(C)C1CCN(CCCC(C)CCCC)CC1
InChIInChI=1S/C29H60N2/c1-6-9-12-14-19-28(20-15-13-10-7-2)26-30(5)29-21-24-31(25-22-29)23-16-18-27(4)17-11-8-3/h27-29H,6-26H2,1-5H3
InChIKeyLDSSCVSBSQBAGN-UHFFFAOYSA-N
MW436.81 g/mol
LogP8.55
Rot. Bonds20

About N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine

N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine (PubChem CID 166678849) has the molecular formula C29H60N2 and a molecular weight of 436.81 g/mol. Its IUPAC name is N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine
PubChem CID166678849
Molecular FormulaC29H60N2
Molecular Weight436.81 g/mol
Exact Mass436.48
IUPAC NameN-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine
SMILESCCCCCCC(CCCCCC)CN(C)C1CCN(CCCC(C)CCCC)CC1
InChIInChI=1S/C29H60N2/c1-6-9-12-14-19-28(20-15-13-10-7-2)26-30(5)29-21-24-31(25-22-29)23-16-18-27(4)17-11-8-3/h27-29H,6-26H2,1-5H3
InChIKeyLDSSCVSBSQBAGN-UHFFFAOYSA-N
XLogP8.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.81
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(4-methylpentyl)-N-(2-methylpropyl)piperidin-4-amine
CID 138728385
N-(2-hexylnonyl)-1-(3-hexylnonyl)-N-methylazetidin-3-amine
CID 170249867
1-(4-methylnonyl)-N-(4-methylphenyl)piperidin-4-amine
CID 142237015
(1S,5R)-8-(2-hexyloctyl)-3-(5-methylnonyl)-3,8-diazabicyclo[3.2.1]octane
CID 170006831
4-(4-methylnonyl)morpholine
CID 170444016
1-decyl-4-propan-2-ylpiperidine
CID 166461232
N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
CID 166733475
N-ethyl-N-methyl-1-(3-methylbutyl)piperidin-4-amine
CID 155404879
13-methyl-24-tetradecyltritetracontane
CID 173071329
5,13,19-trimethylheptatriacontane
CID 172565409
5-methyloctatriacontane
CID 527416
(5S)-5-methylnonadecane
CID 170848384

Frequently Asked Questions

What is the IUPAC name of N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine?
The IUPAC name of N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine (CID 166678849) is N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine.
What is the SMILES notation for N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine?
The canonical SMILES for N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine is CCCCCCC(CCCCCC)CN(C)C1CCN(CCCC(C)CCCC)CC1.
What is the InChIKey of N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine?
The InChIKey is LDSSCVSBSQBAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H60N2/c1-6-9-12-14-19-28(20-15-13-10-7-2)26-30(5)29-21-24-31(25-22-29)23-16-18-27(4)17-11-8-3/h27-29H,6-26H2,1-5H3.
What are the key properties of N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine?
N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine has a molecular weight of 436.81 g/mol, XLogP of 8.55, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hexyloctyl)-N-methyl-1-(4-methyloctyl)piperidin-4-amine is sourced from PubChem (CID 166678849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).