N-hexan-2-yl-3-imidazol-1-ylaniline

C15H21N3 — CID 43779875

IUPACN-hexan-2-yl-3-imidazol-1-ylaniline
SMILESCCCCC(C)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H21N3/c1-3-4-6-13(2)17-14-7-5-8-15(11-14)18-10-9-16-12-18/h5,7-13,17H,3-4,6H2,1-2H3
InChIKeyXJNWOKIECTUQSM-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.86
Rot. Bonds6

About N-hexan-2-yl-3-imidazol-1-ylaniline

N-hexan-2-yl-3-imidazol-1-ylaniline (PubChem CID 43779875) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-hexan-2-yl-3-imidazol-1-ylaniline.

Molecular Properties

Compound NameN-hexan-2-yl-3-imidazol-1-ylaniline
PubChem CID43779875
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-hexan-2-yl-3-imidazol-1-ylaniline
SMILESCCCCC(C)Nc1cccc(-n2ccnc2)c1
InChIInChI=1S/C15H21N3/c1-3-4-6-13(2)17-14-7-5-8-15(11-14)18-10-9-16-12-18/h5,7-13,17H,3-4,6H2,1-2H3
InChIKeyXJNWOKIECTUQSM-UHFFFAOYSA-N
XLogP3.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-imidazol-1-yl-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534254
N-hexan-3-yl-3-imidazol-1-ylaniline
CID 103936283
2-amino-N-(3-imidazol-1-ylphenyl)hexanamide
CID 60853484
N-[1-(furan-2-yl)propan-2-yl]-3-imidazol-1-ylaniline
CID 63100284
N-octan-2-yl-3-pyrazol-1-ylaniline
CID 43739980
N-nonan-2-yl-3-pyrazol-1-ylaniline
CID 43739973
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
N-heptan-3-yl-3-pyrrol-1-ylaniline
CID 63944364
N-hexan-2-yl-3-propan-2-ylaniline
CID 43768976
4-imidazol-1-yl-N-(4-methoxybutan-2-yl)aniline
CID 75516703
3-imidazol-1-yl-N-(4-propan-2-ylcyclohexyl)aniline
CID 63428404

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-3-imidazol-1-ylaniline?
The IUPAC name of N-hexan-2-yl-3-imidazol-1-ylaniline (CID 43779875) is N-hexan-2-yl-3-imidazol-1-ylaniline.
What is the SMILES notation for N-hexan-2-yl-3-imidazol-1-ylaniline?
The canonical SMILES for N-hexan-2-yl-3-imidazol-1-ylaniline is CCCCC(C)Nc1cccc(-n2ccnc2)c1.
What is the InChIKey of N-hexan-2-yl-3-imidazol-1-ylaniline?
The InChIKey is XJNWOKIECTUQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-4-6-13(2)17-14-7-5-8-15(11-14)18-10-9-16-12-18/h5,7-13,17H,3-4,6H2,1-2H3.
What are the key properties of N-hexan-2-yl-3-imidazol-1-ylaniline?
N-hexan-2-yl-3-imidazol-1-ylaniline has a molecular weight of 243.35 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-3-imidazol-1-ylaniline is sourced from PubChem (CID 43779875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).