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

C15H24N2 — CID 63864950

IUPAC4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCc1cc(CCN)ccc1N(C)CC1CC1C
InChIInChI=1S/C15H24N2/c1-11-9-14(11)10-17(3)15-5-4-13(6-7-16)8-12(15)2/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyMFLGXIKYYDGEFM-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.59
Rot. Bonds5

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

4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 63864950) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID63864950
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCc1cc(CCN)ccc1N(C)CC1CC1C
InChIInChI=1S/C15H24N2/c1-11-9-14(11)10-17(3)15-5-4-13(6-7-16)8-12(15)2/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3
InChIKeyMFLGXIKYYDGEFM-UHFFFAOYSA-N
XLogP2.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline (CID 63864950) is 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline is Cc1cc(CCN)ccc1N(C)CC1CC1C.
What is the InChIKey of 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is MFLGXIKYYDGEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-9-14(11)10-17(3)15-5-4-13(6-7-16)8-12(15)2/h4-5,8,11,14H,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline?
4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 63864950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).