11-(perylen-3-ylmethoxy)undecan-1-amine

C32H37NO — CID 88525542

IUPAC11-(perylen-3-ylmethoxy)undecan-1-amine
SMILESNCCCCCCCCCCCOCc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C32H37NO/c33-21-8-6-4-2-1-3-5-7-9-22-34-23-25-19-20-30-28-17-11-14-24-13-10-16-27(31(24)28)29-18-12-15-26(25)32(29)30/h10-20H,1-9,21-23,33H2
InChIKeyHOYKTXVPLBDCCP-UHFFFAOYSA-N
MW451.65 g/mol
LogP8.72
Rot. Bonds13

About 11-(perylen-3-ylmethoxy)undecan-1-amine

11-(perylen-3-ylmethoxy)undecan-1-amine (PubChem CID 88525542) has the molecular formula C32H37NO and a molecular weight of 451.65 g/mol. Its IUPAC name is 11-(perylen-3-ylmethoxy)undecan-1-amine.

Molecular Properties

Compound Name11-(perylen-3-ylmethoxy)undecan-1-amine
PubChem CID88525542
Molecular FormulaC32H37NO
Molecular Weight451.65 g/mol
Exact Mass451.29
IUPAC Name11-(perylen-3-ylmethoxy)undecan-1-amine
SMILESNCCCCCCCCCCCOCc1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C32H37NO/c33-21-8-6-4-2-1-3-5-7-9-22-34-23-25-19-20-30-28-17-11-14-24-13-10-16-27(31(24)28)29-18-12-15-26(25)32(29)30/h10-20H,1-9,21-23,33H2
InChIKeyHOYKTXVPLBDCCP-UHFFFAOYSA-N
XLogP8.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.65
LogP ≤ 58.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

6-(pyren-1-ylmethoxy)hexan-1-amine
CID 59846991
3-(prop-2-ynoxymethyl)perylene
CID 86224956
benzyl 6-(pyren-1-ylmethoxy)hexanoate
CID 15712419
1-(hexoxymethyl)naphthalene
CID 18427527
1-(5-bromopentoxymethyl)naphthalene
CID 19101842
(Z)-18-perylen-1-yloctadec-9-en-1-amine
CID 155490850
1-[4-(4-pyren-1-ylbutoxy)butyl]pyrene
CID 123848132
1-[[2-methyl-3-(pyren-1-ylmethoxy)propoxy]methyl]pyrene
CID 102109995
6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826
3-perylen-3-ylpropanamide
CID 149172575
perylen-3-ylmethanol;perylen-3-ylmethyl benzoate
CID 167668405
1-(prop-2-enoxymethyl)pyrene
CID 15180727

Frequently Asked Questions

What is the IUPAC name of 11-(perylen-3-ylmethoxy)undecan-1-amine?
The IUPAC name of 11-(perylen-3-ylmethoxy)undecan-1-amine (CID 88525542) is 11-(perylen-3-ylmethoxy)undecan-1-amine.
What is the SMILES notation for 11-(perylen-3-ylmethoxy)undecan-1-amine?
The canonical SMILES for 11-(perylen-3-ylmethoxy)undecan-1-amine is NCCCCCCCCCCCOCc1ccc2c3cccc4cccc(c5cccc1c52)c43.
What is the InChIKey of 11-(perylen-3-ylmethoxy)undecan-1-amine?
The InChIKey is HOYKTXVPLBDCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NO/c33-21-8-6-4-2-1-3-5-7-9-22-34-23-25-19-20-30-28-17-11-14-24-13-10-16-27(31(24)28)29-18-12-15-26(25)32(29)30/h10-20H,1-9,21-23,33H2.
What are the key properties of 11-(perylen-3-ylmethoxy)undecan-1-amine?
11-(perylen-3-ylmethoxy)undecan-1-amine has a molecular weight of 451.65 g/mol, XLogP of 8.72, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(perylen-3-ylmethoxy)undecan-1-amine is sourced from PubChem (CID 88525542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).