N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine

C33H68N2O — CID 170064981

IUPACN-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine
SMILESCCCCCCCC(CC)NCCCOCC1CCN(CC(CCCCCC)CCCCCC)CC1
InChIInChI=1S/C33H68N2O/c1-5-9-12-15-18-22-33(8-4)34-25-19-28-36-30-32-23-26-35(27-24-32)29-31(20-16-13-10-6-2)21-17-14-11-7-3/h31-34H,5-30H2,1-4H3
InChIKeyATJWLKUMQCTANR-UHFFFAOYSA-N
MW508.92 g/mol
LogP9.39
Rot. Bonds26

About N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine

N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine (PubChem CID 170064981) has the molecular formula C33H68N2O and a molecular weight of 508.92 g/mol. Its IUPAC name is N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine.

Molecular Properties

Compound NameN-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine
PubChem CID170064981
Molecular FormulaC33H68N2O
Molecular Weight508.92 g/mol
Exact Mass508.53
IUPAC NameN-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine
SMILESCCCCCCCC(CC)NCCCOCC1CCN(CC(CCCCCC)CCCCCC)CC1
InChIInChI=1S/C33H68N2O/c1-5-9-12-15-18-22-33(8-4)34-25-19-28-36-30-32-23-26-35(27-24-32)29-31(20-16-13-10-6-2)21-17-14-11-7-3/h31-34H,5-30H2,1-4H3
InChIKeyATJWLKUMQCTANR-UHFFFAOYSA-N
XLogP9.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds26
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.92
LogP ≤ 59.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine with MolForge

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]hexan-3-amine
CID 103920888
N-methyl-3-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]propan-1-amine
CID 155189204
4-(5-hexylundecyl)-1-(2-propylhexyl)piperidine
CID 166733134
N-[[2-(2-butyloctyl)-2-azaspiro[3.5]nonan-7-yl]methyl]hexan-3-amine
CID 167191605
N-tridecylpentadecan-3-amine
CID 88820168
N-[3-(cyclopropylmethoxy)propyl]butan-2-amine
CID 43206788
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-[3-(cyclopropylmethoxy)propyl]hexan-2-amine
CID 43770778
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
3-(2-butylheptyl)-N-tridecan-6-yl-3-azaspiro[5.5]undecan-9-amine
CID 170065246
N-hexan-3-ylhexan-1-amine
CID 62117591
N-[3-(cyclopropylmethoxy)propyl]heptan-1-amine
CID 43130311

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine?
The IUPAC name of N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine (CID 170064981) is N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine.
What is the SMILES notation for N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine?
The canonical SMILES for N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine is CCCCCCCC(CC)NCCCOCC1CCN(CC(CCCCCC)CCCCCC)CC1.
What is the InChIKey of N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine?
The InChIKey is ATJWLKUMQCTANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H68N2O/c1-5-9-12-15-18-22-33(8-4)34-25-19-28-36-30-32-23-26-35(27-24-32)29-31(20-16-13-10-6-2)21-17-14-11-7-3/h31-34H,5-30H2,1-4H3.
What are the key properties of N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine?
N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine has a molecular weight of 508.92 g/mol, XLogP of 9.39, 26 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(2-hexyloctyl)piperidin-4-yl]methoxy]propyl]decan-3-amine is sourced from PubChem (CID 170064981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).