4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline

C18H23N3 — CID 115913110

IUPAC4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline
SMILESCCN(Cc1ccncc1)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C18H23N3/c1-2-21(13-15-7-11-20-12-8-15)14-18(9-10-18)16-3-5-17(19)6-4-16/h3-8,11-12H,2,9-10,13-14,19H2,1H3
InChIKeyVUBOLWOWVFNAFT-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.22
Rot. Bonds6

About 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline

4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline (PubChem CID 115913110) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline.

Molecular Properties

Compound Name4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline
PubChem CID115913110
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline
SMILESCCN(Cc1ccncc1)CC1(c2ccc(N)cc2)CC1
InChIInChI=1S/C18H23N3/c1-2-21(13-15-7-11-20-12-8-15)14-18(9-10-18)16-3-5-17(19)6-4-16/h3-8,11-12H,2,9-10,13-14,19H2,1H3
InChIKeyVUBOLWOWVFNAFT-UHFFFAOYSA-N
XLogP3.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline?
The IUPAC name of 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline (CID 115913110) is 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline.
What is the SMILES notation for 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline?
The canonical SMILES for 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline is CCN(Cc1ccncc1)CC1(c2ccc(N)cc2)CC1.
What is the InChIKey of 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline?
The InChIKey is VUBOLWOWVFNAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-21(13-15-7-11-20-12-8-15)14-18(9-10-18)16-3-5-17(19)6-4-16/h3-8,11-12H,2,9-10,13-14,19H2,1H3.
What are the key properties of 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline?
4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline has a molecular weight of 281.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclopropyl]aniline is sourced from PubChem (CID 115913110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).