3-pentylaniline

C11H17N — CID 19911390

IUPAC3-pentylaniline
SMILESCCCCCc1cccc(N)c1
InChIInChI=1S/C11H17N/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9H,2-4,6,12H2,1H3
InChIKeyOGCDCBFCCFJKTK-UHFFFAOYSA-N
MW163.26 g/mol
LogP3.00
Rot. Bonds4

About 3-pentylaniline

3-pentylaniline (PubChem CID 19911390) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-pentylaniline.

Molecular Properties

Compound Name3-pentylaniline
PubChem CID19911390
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-pentylaniline
SMILESCCCCCc1cccc(N)c1
InChIInChI=1S/C11H17N/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9H,2-4,6,12H2,1H3
InChIKeyOGCDCBFCCFJKTK-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.00
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'}

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Related Compounds

3-docosylaniline
CID 139654071
1,3-di(tetradecyl)benzene
CID 91053224
ethane;3-propylaniline;vanadium
CID 143596420
(3-pentylphenyl)hydrazine
CID 70445583
3-(3-fluoropropyl)aniline
CID 83855660
3-(3-aminophenyl)propan-1-ol
CID 10103334
5-decylbenzene-1,3-diamine
CID 134222532
3-[3-(hexan-2-ylamino)propyl]aniline
CID 113290671
3-[3-(4-propylpiperazin-1-yl)propyl]aniline
CID 115341726
ethane;1-methyl-3-pentylbenzene
CID 143267779
1-(iodomethyl)-3-pentylbenzene
CID 89328512
2-(3-pentylphenyl)ethanol
CID 163236984

Frequently Asked Questions

What is the IUPAC name of 3-pentylaniline?
The IUPAC name of 3-pentylaniline (CID 19911390) is 3-pentylaniline.
What is the SMILES notation for 3-pentylaniline?
The canonical SMILES for 3-pentylaniline is CCCCCc1cccc(N)c1.
What is the InChIKey of 3-pentylaniline?
The InChIKey is OGCDCBFCCFJKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-9H,2-4,6,12H2,1H3.
What are the key properties of 3-pentylaniline?
3-pentylaniline has a molecular weight of 163.26 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentylaniline is sourced from PubChem (CID 19911390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).