3,4,4-triethyl-N-methylhexan-3-amine

C13H29N — CID 142030390

IUPAC3,4,4-triethyl-N-methylhexan-3-amine
SMILESCCC(CC)(CC)C(CC)(CC)NC
InChIInChI=1S/C13H29N/c1-7-12(8-2,9-3)13(10-4,11-5)14-6/h14H,7-11H2,1-6H3
InChIKeyCGJXHNZWPBJWIS-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds7

About 3,4,4-triethyl-N-methylhexan-3-amine

3,4,4-triethyl-N-methylhexan-3-amine (PubChem CID 142030390) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 3,4,4-triethyl-N-methylhexan-3-amine.

Molecular Properties

Compound Name3,4,4-triethyl-N-methylhexan-3-amine
PubChem CID142030390
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name3,4,4-triethyl-N-methylhexan-3-amine
SMILESCCC(CC)(CC)C(CC)(CC)NC
InChIInChI=1S/C13H29N/c1-7-12(8-2,9-3)13(10-4,11-5)14-6/h14H,7-11H2,1-6H3
InChIKeyCGJXHNZWPBJWIS-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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 3,4,4-triethyl-N-methylhexan-3-amine?
The IUPAC name of 3,4,4-triethyl-N-methylhexan-3-amine (CID 142030390) is 3,4,4-triethyl-N-methylhexan-3-amine.
What is the SMILES notation for 3,4,4-triethyl-N-methylhexan-3-amine?
The canonical SMILES for 3,4,4-triethyl-N-methylhexan-3-amine is CCC(CC)(CC)C(CC)(CC)NC.
What is the InChIKey of 3,4,4-triethyl-N-methylhexan-3-amine?
The InChIKey is CGJXHNZWPBJWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-12(8-2,9-3)13(10-4,11-5)14-6/h14H,7-11H2,1-6H3.
What are the key properties of 3,4,4-triethyl-N-methylhexan-3-amine?
3,4,4-triethyl-N-methylhexan-3-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-triethyl-N-methylhexan-3-amine is sourced from PubChem (CID 142030390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).