N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline

C17H20N2 — CID 43733049

IUPACN-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2cccc2)c1
InChIInChI=1S/C17H20N2/c1-2-11-19(10-1)16-5-3-4-15(12-16)18-17(13-6-7-13)14-8-9-14/h1-5,10-14,17-18H,6-9H2
InChIKeyQZIDJFDKJNOSKM-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.08
Rot. Bonds5

About N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline

N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline (PubChem CID 43733049) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline
PubChem CID43733049
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC NameN-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NC(C2CC2)C2CC2)cc(-n2cccc2)c1
InChIInChI=1S/C17H20N2/c1-2-11-19(10-1)16-5-3-4-15(12-16)18-17(13-6-7-13)14-8-9-14/h1-5,10-14,17-18H,6-9H2
InChIKeyQZIDJFDKJNOSKM-UHFFFAOYSA-N
XLogP4.08
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692010
N-(dicyclopropylmethyl)-3-imidazol-1-ylaniline
CID 43678392
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
N-propan-2-yl-3-pyrrol-1-ylaniline
CID 43733059
1-[3-(dicyclopropylmethylamino)phenyl]pyrrolidin-2-one
CID 43362855
1-[3-(dicyclopropylmethylamino)phenyl]imidazolidin-2-one
CID 43696697
N-(dicyclopropylmethyl)-3-ethynylaniline
CID 43173307
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
1-(3-pyrrol-1-ylphenyl)pyrrole
CID 91674731
N-heptan-3-yl-3-pyrrol-1-ylaniline
CID 63944364
N-(dicyclopropylmethyl)-3-methylsulfonylaniline
CID 54861516
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline (CID 43733049) is N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline is c1cc(NC(C2CC2)C2CC2)cc(-n2cccc2)c1.
What is the InChIKey of N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline?
The InChIKey is QZIDJFDKJNOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-11-19(10-1)16-5-3-4-15(12-16)18-17(13-6-7-13)14-8-9-14/h1-5,10-14,17-18H,6-9H2.
What are the key properties of N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline?
N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline has a molecular weight of 252.36 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 43733049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).