3-[3-(hexan-2-ylamino)propyl]aniline

C15H26N2 — CID 113290671

IUPAC3-[3-(hexan-2-ylamino)propyl]aniline
SMILESCCCCC(C)NCCCc1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-3-4-7-13(2)17-11-6-9-14-8-5-10-15(16)12-14/h5,8,10,12-13,17H,3-4,6-7,9,11,16H2,1-2H3
InChIKeyQEOFLTRRVHJYKM-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.37
Rot. Bonds8

About 3-[3-(hexan-2-ylamino)propyl]aniline

3-[3-(hexan-2-ylamino)propyl]aniline (PubChem CID 113290671) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-[3-(hexan-2-ylamino)propyl]aniline.

Molecular Properties

Compound Name3-[3-(hexan-2-ylamino)propyl]aniline
PubChem CID113290671
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-[3-(hexan-2-ylamino)propyl]aniline
SMILESCCCCC(C)NCCCc1cccc(N)c1
InChIInChI=1S/C15H26N2/c1-3-4-7-13(2)17-11-6-9-14-8-5-10-15(16)12-14/h5,8,10,12-13,17H,3-4,6-7,9,11,16H2,1-2H3
InChIKeyQEOFLTRRVHJYKM-UHFFFAOYSA-N
XLogP3.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

N-(4-phenylbutyl)hexan-2-amine
CID 114333315
3-pentylaniline
CID 19911390
3-docosylaniline
CID 139654071
4-[2-(hexan-2-ylamino)ethyl]aniline
CID 62199328
4-(3-methylphenyl)-N-(3-phenylpropyl)butan-2-amine
CID 63420680
6-phenyl-N-propylhexan-2-amine
CID 61485022
3-[2-(2-methylbutylamino)ethyl]aniline
CID 65347855
3-(3-aminophenyl)-N-pentan-2-ylpropanamide
CID 43309032
6-(3-aminophenyl)-3-methylhexan-2-ol
CID 89100979
N-(3-thiophen-2-ylpropyl)hexan-2-amine
CID 115897415
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
3-(3-aminophenyl)propan-1-ol
CID 10103334

Frequently Asked Questions

What is the IUPAC name of 3-[3-(hexan-2-ylamino)propyl]aniline?
The IUPAC name of 3-[3-(hexan-2-ylamino)propyl]aniline (CID 113290671) is 3-[3-(hexan-2-ylamino)propyl]aniline.
What is the SMILES notation for 3-[3-(hexan-2-ylamino)propyl]aniline?
The canonical SMILES for 3-[3-(hexan-2-ylamino)propyl]aniline is CCCCC(C)NCCCc1cccc(N)c1.
What is the InChIKey of 3-[3-(hexan-2-ylamino)propyl]aniline?
The InChIKey is QEOFLTRRVHJYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-4-7-13(2)17-11-6-9-14-8-5-10-15(16)12-14/h5,8,10,12-13,17H,3-4,6-7,9,11,16H2,1-2H3.
What are the key properties of 3-[3-(hexan-2-ylamino)propyl]aniline?
3-[3-(hexan-2-ylamino)propyl]aniline has a molecular weight of 234.39 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(hexan-2-ylamino)propyl]aniline is sourced from PubChem (CID 113290671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).