2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline

C14H21N3 — CID 163266206

IUPAC2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline
SMILESC=Nc1ccccc1NCCN1CCCC1C
InChIInChI=1S/C14H21N3/c1-12-6-5-10-17(12)11-9-16-14-8-4-3-7-13(14)15-2/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyRXKASBIVUFAXCK-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.91
Rot. Bonds5

About 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline

2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline (PubChem CID 163266206) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline
PubChem CID163266206
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline
SMILESC=Nc1ccccc1NCCN1CCCC1C
InChIInChI=1S/C14H21N3/c1-12-6-5-10-17(12)11-9-16-14-8-4-3-7-13(14)15-2/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyRXKASBIVUFAXCK-UHFFFAOYSA-N
XLogP2.91
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-cyclopentylpyrrolidin-1-yl)ethyl]-2-methylaniline
CID 63503063
N-[3-(2-methylpiperidin-1-yl)propyl]-2-nitroaniline
CID 43080890
2-formyl-N-methyl-N-[5-(methylamino)-1,5-dioxopentan-2-yl]-6-[4-[4-[3-(methylideneamino)-4-[2-(2-methylpyrrolidin-1-yl)ethylamino]anilino]anilino]butylamino]benzamide
CID 163266017
2-(2-methylpyrrolidin-1-yl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 115656623
N-[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)ethyl]-2-bromoaniline
CID 82752272
2-bromo-N-[2-(3-methylmorpholin-4-yl)ethyl]aniline
CID 62561525
2-chloro-6-[3-(2-methylpiperidin-1-yl)propylamino]benzoic acid
CID 62710949
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-nitroanilino)propanamide
CID 60516197
2-chloro-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692395
2-(2-methylpyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)ethanamine
CID 115656614
N-[2-(2-ethylazepan-1-yl)ethyl]-2-fluoroaniline
CID 104692420
2-bromo-N-[2-(2-ethylazepan-1-yl)ethyl]aniline
CID 104692439

Frequently Asked Questions

What is the IUPAC name of 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline?
The IUPAC name of 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline (CID 163266206) is 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline.
What is the SMILES notation for 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline?
The canonical SMILES for 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline is C=Nc1ccccc1NCCN1CCCC1C.
What is the InChIKey of 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline?
The InChIKey is RXKASBIVUFAXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-12-6-5-10-17(12)11-9-16-14-8-4-3-7-13(14)15-2/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3.
What are the key properties of 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline?
2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline has a molecular weight of 231.34 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylideneamino)-N-[2-(2-methylpyrrolidin-1-yl)ethyl]aniline is sourced from PubChem (CID 163266206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).