ethane;N-methyl-2-(1-methylcyclopropyl)aniline

C15H27N — CID 144956441

IUPACethane;N-methyl-2-(1-methylcyclopropyl)aniline
SMILESCC.CC.CNc1ccccc1C1(C)CC1
InChIInChI=1S/C11H15N.2C2H6/c1-11(7-8-11)9-5-3-4-6-10(9)12-2;2*1-2/h3-6,12H,7-8H2,1-2H3;2*1-2H3
InChIKeyIIIJNAKJIKXJEM-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.83
Rot. Bonds2

About ethane;N-methyl-2-(1-methylcyclopropyl)aniline

ethane;N-methyl-2-(1-methylcyclopropyl)aniline (PubChem CID 144956441) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;N-methyl-2-(1-methylcyclopropyl)aniline.

Molecular Properties

Compound Nameethane;N-methyl-2-(1-methylcyclopropyl)aniline
PubChem CID144956441
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;N-methyl-2-(1-methylcyclopropyl)aniline
SMILESCC.CC.CNc1ccccc1C1(C)CC1
InChIInChI=1S/C11H15N.2C2H6/c1-11(7-8-11)9-5-3-4-6-10(9)12-2;2*1-2/h3-6,12H,7-8H2,1-2H3;2*1-2H3
InChIKeyIIIJNAKJIKXJEM-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-(1-methylcyclopropyl)aniline?
The IUPAC name of ethane;N-methyl-2-(1-methylcyclopropyl)aniline (CID 144956441) is ethane;N-methyl-2-(1-methylcyclopropyl)aniline.
What is the SMILES notation for ethane;N-methyl-2-(1-methylcyclopropyl)aniline?
The canonical SMILES for ethane;N-methyl-2-(1-methylcyclopropyl)aniline is CC.CC.CNc1ccccc1C1(C)CC1.
What is the InChIKey of ethane;N-methyl-2-(1-methylcyclopropyl)aniline?
The InChIKey is IIIJNAKJIKXJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.2C2H6/c1-11(7-8-11)9-5-3-4-6-10(9)12-2;2*1-2/h3-6,12H,7-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;N-methyl-2-(1-methylcyclopropyl)aniline?
ethane;N-methyl-2-(1-methylcyclopropyl)aniline has a molecular weight of 221.39 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-(1-methylcyclopropyl)aniline is sourced from PubChem (CID 144956441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).