N-ethyl-2-methylhexan-2-amine

C9H21N — CID 55286175

IUPACN-ethyl-2-methylhexan-2-amine
SMILESCCCCC(C)(C)NCC
InChIInChI=1S/C9H21N/c1-5-7-8-9(3,4)10-6-2/h10H,5-8H2,1-4H3
InChIKeyOODJPTGEFMZDCL-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.56
Rot. Bonds5

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

N-ethyl-2-methylhexan-2-amine (PubChem CID 55286175) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is N-ethyl-2-methylhexan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methylhexan-2-amine
PubChem CID55286175
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC NameN-ethyl-2-methylhexan-2-amine
SMILESCCCCC(C)(C)NCC
InChIInChI=1S/C9H21N/c1-5-7-8-9(3,4)10-6-2/h10H,5-8H2,1-4H3
InChIKeyOODJPTGEFMZDCL-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylhexan-2-amine?
The IUPAC name of N-ethyl-2-methylhexan-2-amine (CID 55286175) is N-ethyl-2-methylhexan-2-amine.
What is the SMILES notation for N-ethyl-2-methylhexan-2-amine?
The canonical SMILES for N-ethyl-2-methylhexan-2-amine is CCCCC(C)(C)NCC.
What is the InChIKey of N-ethyl-2-methylhexan-2-amine?
The InChIKey is OODJPTGEFMZDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-5-7-8-9(3,4)10-6-2/h10H,5-8H2,1-4H3.
What are the key properties of N-ethyl-2-methylhexan-2-amine?
N-ethyl-2-methylhexan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylhexan-2-amine is sourced from PubChem (CID 55286175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).