N,N-dipentylpyren-1-amine

C26H31N — CID 87211130

IUPACN,N-dipentylpyren-1-amine
SMILESCCCCCN(CCCCC)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C26H31N/c1-3-5-7-18-27(19-8-6-4-2)24-17-15-22-13-12-20-10-9-11-21-14-16-23(24)26(22)25(20)21/h9-17H,3-8,18-19H2,1-2H3
InChIKeyUFOAQNOSCOHDTL-UHFFFAOYSA-N
MW357.54 g/mol
LogP7.77
Rot. Bonds9

About N,N-dipentylpyren-1-amine

N,N-dipentylpyren-1-amine (PubChem CID 87211130) has the molecular formula C26H31N and a molecular weight of 357.54 g/mol. Its IUPAC name is N,N-dipentylpyren-1-amine.

Molecular Properties

Compound NameN,N-dipentylpyren-1-amine
PubChem CID87211130
Molecular FormulaC26H31N
Molecular Weight357.54 g/mol
Exact Mass357.25
IUPAC NameN,N-dipentylpyren-1-amine
SMILESCCCCCN(CCCCC)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C26H31N/c1-3-5-7-18-27(19-8-6-4-2)24-17-15-22-13-12-20-10-9-11-21-14-16-23(24)26(22)25(20)21/h9-17H,3-8,18-19H2,1-2H3
InChIKeyUFOAQNOSCOHDTL-UHFFFAOYSA-N
XLogP7.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-hexadecylpyrene
CID 12966317
1-N,1-N,8-N,8-N-tetrapropylnaphthalene-1,8-diamine
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N,N-bis(4-ethylphenyl)pyren-1-amine
CID 15279343
pyren-1-ylmethyl N,N-dioctylcarbamate
CID 58444353
N-[4-(4-phenylphenyl)phenyl]-N-(4-propylphenyl)pyren-1-amine
CID 59836976
5-(dipentylamino)-2,3-dihydrophthalazine-1,4-dione
CID 10403545
2,3-bis(dipentylamino)phenol
CID 67225665
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267
2-hexylpyren-1-amine
CID 87887526
dioxido(pyren-1-yl)borane;bis(tetrabutylazanium)
CID 140995835
N,N-dioctyldibenzothiophen-1-amine
CID 159643290
2-(dioctadecylamino)phenol
CID 67178725

Frequently Asked Questions

What is the IUPAC name of N,N-dipentylpyren-1-amine?
The IUPAC name of N,N-dipentylpyren-1-amine (CID 87211130) is N,N-dipentylpyren-1-amine.
What is the SMILES notation for N,N-dipentylpyren-1-amine?
The canonical SMILES for N,N-dipentylpyren-1-amine is CCCCCN(CCCCC)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N,N-dipentylpyren-1-amine?
The InChIKey is UFOAQNOSCOHDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N/c1-3-5-7-18-27(19-8-6-4-2)24-17-15-22-13-12-20-10-9-11-21-14-16-23(24)26(22)25(20)21/h9-17H,3-8,18-19H2,1-2H3.
What are the key properties of N,N-dipentylpyren-1-amine?
N,N-dipentylpyren-1-amine has a molecular weight of 357.54 g/mol, XLogP of 7.77, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentylpyren-1-amine is sourced from PubChem (CID 87211130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).