N-methyl-3-propylaniline

C10H15N — CID 19105860

IUPACN-methyl-3-propylaniline
SMILESCCCc1cccc(NC)c1
InChIInChI=1S/C10H15N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8,11H,3,5H2,1-2H3
InChIKeyXACPPCKWISRXFT-UHFFFAOYSA-N
MW149.24 g/mol
LogP2.68
Rot. Bonds3

About N-methyl-3-propylaniline

N-methyl-3-propylaniline (PubChem CID 19105860) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-methyl-3-propylaniline.

Molecular Properties

Compound NameN-methyl-3-propylaniline
PubChem CID19105860
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-methyl-3-propylaniline
SMILESCCCc1cccc(NC)c1
InChIInChI=1S/C10H15N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8,11H,3,5H2,1-2H3
InChIKeyXACPPCKWISRXFT-UHFFFAOYSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-propylaniline?
The IUPAC name of N-methyl-3-propylaniline (CID 19105860) is N-methyl-3-propylaniline.
What is the SMILES notation for N-methyl-3-propylaniline?
The canonical SMILES for N-methyl-3-propylaniline is CCCc1cccc(NC)c1.
What is the InChIKey of N-methyl-3-propylaniline?
The InChIKey is XACPPCKWISRXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-3-5-9-6-4-7-10(8-9)11-2/h4,6-8,11H,3,5H2,1-2H3.
What are the key properties of N-methyl-3-propylaniline?
N-methyl-3-propylaniline has a molecular weight of 149.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-propylaniline is sourced from PubChem (CID 19105860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).