N-methyl-N-(3-pyrrol-1-ylpropyl)aniline

C14H18N2 — CID 43510642

IUPACN-methyl-N-(3-pyrrol-1-ylpropyl)aniline
SMILESCN(CCCn1cccc1)c1ccccc1
InChIInChI=1S/C14H18N2/c1-15(14-8-3-2-4-9-14)10-7-13-16-11-5-6-12-16/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyNTCNORUIDYLUGC-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.01
Rot. Bonds5

About N-methyl-N-(3-pyrrol-1-ylpropyl)aniline

N-methyl-N-(3-pyrrol-1-ylpropyl)aniline (PubChem CID 43510642) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-methyl-N-(3-pyrrol-1-ylpropyl)aniline.

Molecular Properties

Compound NameN-methyl-N-(3-pyrrol-1-ylpropyl)aniline
PubChem CID43510642
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-methyl-N-(3-pyrrol-1-ylpropyl)aniline
SMILESCN(CCCn1cccc1)c1ccccc1
InChIInChI=1S/C14H18N2/c1-15(14-8-3-2-4-9-14)10-7-13-16-11-5-6-12-16/h2-6,8-9,11-12H,7,10,13H2,1H3
InChIKeyNTCNORUIDYLUGC-UHFFFAOYSA-N
XLogP3.01
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(N-methylanilino)propyl]pyrrole-2,5-dione
CID 19438633
N-heptyl-N-methylaniline
CID 54015540
carbanide;N,N'-dimethyl-N,N'-diphenylethane-1,2-diamine;palladium
CID 22967947
N-dodecyl-N-methylaniline;hydrochloride
CID 23333551
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
ethane;N,N,N'-trimethyl-N'-phenylethane-1,2-diamine
CID 177320801
N-methyl-N-(2-pyrrolidin-1-ylethyl)aniline
CID 69244410
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
[3-[3-(N-methylanilino)propyl]imidazol-4-yl]methanol
CID 66149149
N,4-dimethyl-1-[3-(N-methylanilino)propyl]imidazol-2-amine
CID 106556643
9-[3-(N-methylanilino)propyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712555
N-(4-bromohexyl)-N-methylaniline
CID 56992251

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-pyrrol-1-ylpropyl)aniline?
The IUPAC name of N-methyl-N-(3-pyrrol-1-ylpropyl)aniline (CID 43510642) is N-methyl-N-(3-pyrrol-1-ylpropyl)aniline.
What is the SMILES notation for N-methyl-N-(3-pyrrol-1-ylpropyl)aniline?
The canonical SMILES for N-methyl-N-(3-pyrrol-1-ylpropyl)aniline is CN(CCCn1cccc1)c1ccccc1.
What is the InChIKey of N-methyl-N-(3-pyrrol-1-ylpropyl)aniline?
The InChIKey is NTCNORUIDYLUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-15(14-8-3-2-4-9-14)10-7-13-16-11-5-6-12-16/h2-6,8-9,11-12H,7,10,13H2,1H3.
What are the key properties of N-methyl-N-(3-pyrrol-1-ylpropyl)aniline?
N-methyl-N-(3-pyrrol-1-ylpropyl)aniline has a molecular weight of 214.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-pyrrol-1-ylpropyl)aniline is sourced from PubChem (CID 43510642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).