4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline

C16H19N3 — CID 43276219

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline
SMILESNCc1ccc(N(Cc2ccncc2)C2CC2)cc1
InChIInChI=1S/C16H19N3/c17-11-13-1-3-15(4-2-13)19(16-5-6-16)12-14-7-9-18-10-8-14/h1-4,7-10,16H,5-6,11-12,17H2
InChIKeyMADYWTFPXAALFF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.71
Rot. Bonds5

About 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline

4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline (PubChem CID 43276219) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline
PubChem CID43276219
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline
SMILESNCc1ccc(N(Cc2ccncc2)C2CC2)cc1
InChIInChI=1S/C16H19N3/c17-11-13-1-3-15(4-2-13)19(16-5-6-16)12-14-7-9-18-10-8-14/h1-4,7-10,16H,5-6,11-12,17H2
InChIKeyMADYWTFPXAALFF-UHFFFAOYSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-N-cyclopropyl-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402832
N'-cyclopropyl-N'-pyridin-4-ylethane-1,2-diamine
CID 63759399
4-(aminomethyl)-N-cyclopentyl-N-cyclopropylaniline
CID 43276221
N-[4-(aminomethyl)phenyl]-N-propylcycloheptanamine
CID 82927051
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
4-(aminomethyl)-N-cyclopropyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 61494006
2-[4-(aminomethyl)-N-cyclopropylanilino]-N,N-diethylacetamide
CID 43276216
2-[4-(aminomethyl)-N-cyclopropylanilino]-N-carbamoylacetamide
CID 43276200
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
5-[4-(aminomethyl)-N-cyclopropylanilino]pentan-1-ol
CID 62228812
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
N-[(4-fluorophenyl)methyl]-N-(pyridin-4-ylmethyl)cyclopropanamine
CID 122134073

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline (CID 43276219) is 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline is NCc1ccc(N(Cc2ccncc2)C2CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is MADYWTFPXAALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-11-13-1-3-15(4-2-13)19(16-5-6-16)12-14-7-9-18-10-8-14/h1-4,7-10,16H,5-6,11-12,17H2.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline?
4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline has a molecular weight of 253.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 43276219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).