2-ethyl-N-methylhexan-1-amine

C9H21N — CID 13127886

IUPAC2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)CNC
InChIInChI=1S/C9H21N/c1-4-6-7-9(5-2)8-10-3/h9-10H,4-8H2,1-3H3
InChIKeyAVJRDBHYLUZPBA-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.42
Rot. Bonds6

About 2-ethyl-N-methylhexan-1-amine

2-ethyl-N-methylhexan-1-amine (PubChem CID 13127886) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-methylhexan-1-amine
PubChem CID13127886
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)CNC
InChIInChI=1S/C9H21N/c1-4-6-7-9(5-2)8-10-3/h9-10H,4-8H2,1-3H3
InChIKeyAVJRDBHYLUZPBA-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 2-ethyl-N-methylhexan-1-amine (CID 13127886) is 2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 2-ethyl-N-methylhexan-1-amine is CCCCC(CC)CNC.
What is the InChIKey of 2-ethyl-N-methylhexan-1-amine?
The InChIKey is AVJRDBHYLUZPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-4-6-7-9(5-2)8-10-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-ethyl-N-methylhexan-1-amine?
2-ethyl-N-methylhexan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 13127886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).