N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline

C15H19N3 — CID 106637585

IUPACN-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCC2CCCN2)cc(-n2cccc2)c1
InChIInChI=1S/C15H19N3/c1-2-10-18(9-1)15-7-3-5-13(11-15)17-12-14-6-4-8-16-14/h1-3,5,7,9-11,14,16-17H,4,6,8,12H2
InChIKeyICQWLQALJYOMJM-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.64
Rot. Bonds4

About N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline

N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline (PubChem CID 106637585) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline
PubChem CID106637585
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC NameN-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCC2CCCN2)cc(-n2cccc2)c1
InChIInChI=1S/C15H19N3/c1-2-10-18(9-1)15-7-3-5-13(11-15)17-12-14-6-4-8-16-14/h1-3,5,7,9-11,14,16-17H,4,6,8,12H2
InChIKeyICQWLQALJYOMJM-UHFFFAOYSA-N
XLogP2.64
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
3-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 75062155
methyl N-[3-(pyrrolidin-2-ylmethylamino)phenyl]carbamate
CID 106637935
3-(4-methylhexyl)-N-(pyrrolidin-2-ylmethyl)aniline
CID 134440934
3-(2-methoxyethoxy)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637941
N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 80553652
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
N-(2-phenylethyl)-3-pyrrol-1-ylaniline
CID 43732988
N-(3-imidazol-1-ylphenyl)-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119857085
N-methyl-3-(piperidin-2-ylmethylamino)benzenesulfonamide
CID 106633277
3-(2-methylpropoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633639
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
CID 103276432

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline (CID 106637585) is N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline is c1cc(NCC2CCCN2)cc(-n2cccc2)c1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline?
The InChIKey is ICQWLQALJYOMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-10-18(9-1)15-7-3-5-13(11-15)17-12-14-6-4-8-16-14/h1-3,5,7,9-11,14,16-17H,4,6,8,12H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline?
N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline has a molecular weight of 241.34 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 106637585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).