4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline

C16H26N2 — CID 63864840

IUPAC4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCCNCc1ccc(N(C)CC2CC2C)cc1C
InChIInChI=1S/C16H26N2/c1-5-17-10-14-6-7-16(9-13(14)3)18(4)11-15-8-12(15)2/h6-7,9,12,15,17H,5,8,10-11H2,1-4H3
InChIKeyDFMFFOCELPXQNM-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds6

About 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline

4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 63864840) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID63864840
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCCNCc1ccc(N(C)CC2CC2C)cc1C
InChIInChI=1S/C16H26N2/c1-5-17-10-14-6-7-16(9-13(14)3)18(4)11-15-8-12(15)2/h6-7,9,12,15,17H,5,8,10-11H2,1-4H3
InChIKeyDFMFFOCELPXQNM-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline (CID 63864840) is 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline is CCNCc1ccc(N(C)CC2CC2C)cc1C.
What is the InChIKey of 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is DFMFFOCELPXQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-5-17-10-14-6-7-16(9-13(14)3)18(4)11-15-8-12(15)2/h6-7,9,12,15,17H,5,8,10-11H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 246.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 63864840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).