6-(pyren-1-ylmethoxy)hexan-1-amine

C23H25NO — CID 59846991

IUPAC6-(pyren-1-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H25NO/c24-14-3-1-2-4-15-25-16-20-11-10-19-9-8-17-6-5-7-18-12-13-21(20)23(19)22(17)18/h5-13H,1-4,14-16,24H2
InChIKeyBYEBZGRNNDCMNN-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.62
Rot. Bonds8

About 6-(pyren-1-ylmethoxy)hexan-1-amine

6-(pyren-1-ylmethoxy)hexan-1-amine (PubChem CID 59846991) has the molecular formula C23H25NO and a molecular weight of 331.46 g/mol. Its IUPAC name is 6-(pyren-1-ylmethoxy)hexan-1-amine.

Molecular Properties

Compound Name6-(pyren-1-ylmethoxy)hexan-1-amine
PubChem CID59846991
Molecular FormulaC23H25NO
Molecular Weight331.46 g/mol
Exact Mass331.19
IUPAC Name6-(pyren-1-ylmethoxy)hexan-1-amine
SMILESNCCCCCCOCc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H25NO/c24-14-3-1-2-4-15-25-16-20-11-10-19-9-8-17-6-5-7-18-12-13-21(20)23(19)22(17)18/h5-13H,1-4,14-16,24H2
InChIKeyBYEBZGRNNDCMNN-UHFFFAOYSA-N
XLogP5.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.62
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_3', 'substructure': 'N/A'}

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Related Compounds

11-(perylen-3-ylmethoxy)undecan-1-amine
CID 88525542
benzyl 6-(pyren-1-ylmethoxy)hexanoate
CID 15712419
1-[4-(4-pyren-1-ylbutoxy)butyl]pyrene
CID 123848132
1-(prop-2-enoxymethyl)pyrene
CID 15180727
1-[[2-methyl-3-(pyren-1-ylmethoxy)propoxy]methyl]pyrene
CID 102109995
1-(7-pyren-1-ylheptyl)pyrene
CID 71394703
1-(22-pyren-1-yldocosyl)pyrene
CID 71394694
bis(pyren-1-ylmethanamine);dihydrochloride
CID 159102456
ethane;1-(methoxymethyl)pyrene
CID 160555515
1-(pyren-1-ylmethoxy)propan-2-ol
CID 174567671
(2S)-3-(9-pyren-1-ylnonoxy)propane-1,2-diol
CID 11531820
6-(naphthalen-2-ylmethoxy)hexan-1-amine
CID 86078826

Frequently Asked Questions

What is the IUPAC name of 6-(pyren-1-ylmethoxy)hexan-1-amine?
The IUPAC name of 6-(pyren-1-ylmethoxy)hexan-1-amine (CID 59846991) is 6-(pyren-1-ylmethoxy)hexan-1-amine.
What is the SMILES notation for 6-(pyren-1-ylmethoxy)hexan-1-amine?
The canonical SMILES for 6-(pyren-1-ylmethoxy)hexan-1-amine is NCCCCCCOCc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 6-(pyren-1-ylmethoxy)hexan-1-amine?
The InChIKey is BYEBZGRNNDCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO/c24-14-3-1-2-4-15-25-16-20-11-10-19-9-8-17-6-5-7-18-12-13-21(20)23(19)22(17)18/h5-13H,1-4,14-16,24H2.
What are the key properties of 6-(pyren-1-ylmethoxy)hexan-1-amine?
6-(pyren-1-ylmethoxy)hexan-1-amine has a molecular weight of 331.46 g/mol, XLogP of 5.62, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyren-1-ylmethoxy)hexan-1-amine is sourced from PubChem (CID 59846991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).