N-heptan-3-yl-3-pyrrol-1-ylaniline

C17H24N2 — CID 63944364

IUPACN-heptan-3-yl-3-pyrrol-1-ylaniline
SMILESCCCCC(CC)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C17H24N2/c1-3-5-9-15(4-2)18-16-10-8-11-17(14-16)19-12-6-7-13-19/h6-8,10-15,18H,3-5,9H2,1-2H3
InChIKeyUEUPMXULHSPILL-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.86
Rot. Bonds7

About N-heptan-3-yl-3-pyrrol-1-ylaniline

N-heptan-3-yl-3-pyrrol-1-ylaniline (PubChem CID 63944364) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-heptan-3-yl-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-heptan-3-yl-3-pyrrol-1-ylaniline
PubChem CID63944364
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-heptan-3-yl-3-pyrrol-1-ylaniline
SMILESCCCCC(CC)Nc1cccc(-n2cccc2)c1
InChIInChI=1S/C17H24N2/c1-3-5-9-15(4-2)18-16-10-8-11-17(14-16)19-12-6-7-13-19/h6-8,10-15,18H,3-5,9H2,1-2H3
InChIKeyUEUPMXULHSPILL-UHFFFAOYSA-N
XLogP4.86
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-3-yl-3-imidazol-1-ylaniline
CID 103936283
N-propan-2-yl-3-pyrrol-1-ylaniline
CID 43733059
N-heptan-3-yl-3-propan-2-ylaniline
CID 63946892
N-hexan-2-yl-3-imidazol-1-ylaniline
CID 43779875
N-(2-methylbutyl)-3-pyrrol-1-ylaniline
CID 43732946
N-heptan-3-yl-3-(1H-pyrazol-5-yl)aniline
CID 63945913
3-(heptan-3-ylamino)-N-methylbenzamide
CID 63944894
methyl N-[3-(heptan-3-ylamino)phenyl]carbamate
CID 63945728
3-bromo-N-heptan-3-yl-4-methylaniline
CID 63946952
N-undecan-3-ylaniline
CID 171755615
3-(heptan-3-ylamino)-N-propan-2-ylbenzamide
CID 63945899
N-heptan-3-yl-3-(1,2,4-triazol-1-ylmethyl)aniline
CID 63945937

Frequently Asked Questions

What is the IUPAC name of N-heptan-3-yl-3-pyrrol-1-ylaniline?
The IUPAC name of N-heptan-3-yl-3-pyrrol-1-ylaniline (CID 63944364) is N-heptan-3-yl-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-heptan-3-yl-3-pyrrol-1-ylaniline?
The canonical SMILES for N-heptan-3-yl-3-pyrrol-1-ylaniline is CCCCC(CC)Nc1cccc(-n2cccc2)c1.
What is the InChIKey of N-heptan-3-yl-3-pyrrol-1-ylaniline?
The InChIKey is UEUPMXULHSPILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-3-5-9-15(4-2)18-16-10-8-11-17(14-16)19-12-6-7-13-19/h6-8,10-15,18H,3-5,9H2,1-2H3.
What are the key properties of N-heptan-3-yl-3-pyrrol-1-ylaniline?
N-heptan-3-yl-3-pyrrol-1-ylaniline has a molecular weight of 256.39 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-3-yl-3-pyrrol-1-ylaniline is sourced from PubChem (CID 63944364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).