10-decylpyren-1-amine

C26H31N — CID 87887464

IUPAC10-decylpyren-1-amine
SMILESCCCCCCCCCCc1cc2cccc3ccc4ccc(N)c1c4c32
InChIInChI=1S/C26H31N/c1-2-3-4-5-6-7-8-9-11-22-18-21-13-10-12-19-14-15-20-16-17-23(27)25(22)26(20)24(19)21/h10,12-18H,2-9,11,27H2,1H3
InChIKeyDQJFMWKQGNVYAK-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.85
Rot. Bonds9

About 10-decylpyren-1-amine

10-decylpyren-1-amine (PubChem CID 87887464) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is 10-decylpyren-1-amine.

Molecular Properties

Compound Name10-decylpyren-1-amine
PubChem CID87887464
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC Name10-decylpyren-1-amine
SMILESCCCCCCCCCCc1cc2cccc3ccc4ccc(N)c1c4c32
InChIInChI=1S/C26H31N/c1-2-3-4-5-6-7-8-9-11-22-18-21-13-10-12-19-14-15-20-16-17-23(27)25(22)26(20)24(19)21/h10,12-18H,2-9,11,27H2,1H3
InChIKeyDQJFMWKQGNVYAK-UHFFFAOYSA-N
XLogP7.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hexylpyren-1-amine
CID 87887526
9-hexylpyren-1-amine
CID 87887470
3-octylpyren-1-amine
CID 87887098
1,2,3,4-tetraoctylpyrene
CID 149434411
1-hexadecylpyrene
CID 12966317
1,6,8,13-tetrahexylovalene
CID 20828040
2,3-diheptylanthracene
CID 14089075
2,3-dioctadecylpentacene
CID 91251003
3-undecylnaphthalene-2,6-diamine
CID 150754371
3-hexadecylbenzene-1,2-diamine
CID 21486063
3-heptylbenzene-1,2-diamine
CID 54294278
2-hexadecylnaphthalen-1-amine
CID 57354886

Frequently Asked Questions

What is the IUPAC name of 10-decylpyren-1-amine?
The IUPAC name of 10-decylpyren-1-amine (CID 87887464) is 10-decylpyren-1-amine.
What is the SMILES notation for 10-decylpyren-1-amine?
The canonical SMILES for 10-decylpyren-1-amine is CCCCCCCCCCc1cc2cccc3ccc4ccc(N)c1c4c32.
What is the InChIKey of 10-decylpyren-1-amine?
The InChIKey is DQJFMWKQGNVYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-2-3-4-5-6-7-8-9-11-22-18-21-13-10-12-19-14-15-20-16-17-23(27)25(22)26(20)24(19)21/h10,12-18H,2-9,11,27H2,1H3.
What are the key properties of 10-decylpyren-1-amine?
10-decylpyren-1-amine has a molecular weight of 357.54 g/mol, XLogP of 7.85, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-decylpyren-1-amine is sourced from PubChem (CID 87887464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).