2-butyl-2-ethyl-N-methylhexan-1-amine

C13H29N — CID 63507209

IUPAC2-butyl-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CCCC)CNC
InChIInChI=1S/C13H29N/c1-5-8-10-13(7-3,12-14-4)11-9-6-2/h14H,5-12H2,1-4H3
InChIKeyMFMROSXMJMNHQF-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds9

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

2-butyl-2-ethyl-N-methylhexan-1-amine (PubChem CID 63507209) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-butyl-2-ethyl-N-methylhexan-1-amine.

Molecular Properties

Compound Name2-butyl-2-ethyl-N-methylhexan-1-amine
PubChem CID63507209
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-butyl-2-ethyl-N-methylhexan-1-amine
SMILESCCCCC(CC)(CCCC)CNC
InChIInChI=1S/C13H29N/c1-5-8-10-13(7-3,12-14-4)11-9-6-2/h14H,5-12H2,1-4H3
InChIKeyMFMROSXMJMNHQF-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-2-ethyl-N-methylhexan-1-amine?
The IUPAC name of 2-butyl-2-ethyl-N-methylhexan-1-amine (CID 63507209) is 2-butyl-2-ethyl-N-methylhexan-1-amine.
What is the SMILES notation for 2-butyl-2-ethyl-N-methylhexan-1-amine?
The canonical SMILES for 2-butyl-2-ethyl-N-methylhexan-1-amine is CCCCC(CC)(CCCC)CNC.
What is the InChIKey of 2-butyl-2-ethyl-N-methylhexan-1-amine?
The InChIKey is MFMROSXMJMNHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-5-8-10-13(7-3,12-14-4)11-9-6-2/h14H,5-12H2,1-4H3.
What are the key properties of 2-butyl-2-ethyl-N-methylhexan-1-amine?
2-butyl-2-ethyl-N-methylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2-ethyl-N-methylhexan-1-amine is sourced from PubChem (CID 63507209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).