N-[1-(aminomethyl)cyclopropyl]-2-methylaniline

C11H16N2 — CID 106661294

IUPACN-[1-(aminomethyl)cyclopropyl]-2-methylaniline
SMILESCc1ccccc1NC1(CN)CC1
InChIInChI=1S/C11H16N2/c1-9-4-2-3-5-10(9)13-11(8-12)6-7-11/h2-5,13H,6-8,12H2,1H3
InChIKeyXZIJIHXKJAXEFD-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.90
Rot. Bonds3

About N-[1-(aminomethyl)cyclopropyl]-2-methylaniline

N-[1-(aminomethyl)cyclopropyl]-2-methylaniline (PubChem CID 106661294) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopropyl]-2-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopropyl]-2-methylaniline
PubChem CID106661294
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-[1-(aminomethyl)cyclopropyl]-2-methylaniline
SMILESCc1ccccc1NC1(CN)CC1
InChIInChI=1S/C11H16N2/c1-9-4-2-3-5-10(9)13-11(8-12)6-7-11/h2-5,13H,6-8,12H2,1H3
InChIKeyXZIJIHXKJAXEFD-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-methylaniline?
The IUPAC name of N-[1-(aminomethyl)cyclopropyl]-2-methylaniline (CID 106661294) is N-[1-(aminomethyl)cyclopropyl]-2-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)cyclopropyl]-2-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)cyclopropyl]-2-methylaniline is Cc1ccccc1NC1(CN)CC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopropyl]-2-methylaniline?
The InChIKey is XZIJIHXKJAXEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-4-2-3-5-10(9)13-11(8-12)6-7-11/h2-5,13H,6-8,12H2,1H3.
What are the key properties of N-[1-(aminomethyl)cyclopropyl]-2-methylaniline?
N-[1-(aminomethyl)cyclopropyl]-2-methylaniline has a molecular weight of 176.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopropyl]-2-methylaniline is sourced from PubChem (CID 106661294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).