3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine

C14H31N — CID 90973206

IUPAC3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine
SMILESCCC(C)(C)NC(C)(CC)C(C)(C)CC
InChIInChI=1S/C14H31N/c1-9-12(4,5)14(8,11-3)15-13(6,7)10-2/h15H,9-11H2,1-8H3
InChIKeySWTGGBOAXGBHRY-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds6

About 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine

3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine (PubChem CID 90973206) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine
PubChem CID90973206
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine
SMILESCCC(C)(C)NC(C)(CC)C(C)(C)CC
InChIInChI=1S/C14H31N/c1-9-12(4,5)14(8,11-3)15-13(6,7)10-2/h15H,9-11H2,1-8H3
InChIKeySWTGGBOAXGBHRY-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine?
The IUPAC name of 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine (CID 90973206) is 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine.
What is the SMILES notation for 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine?
The canonical SMILES for 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine is CCC(C)(C)NC(C)(CC)C(C)(C)CC.
What is the InChIKey of 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine?
The InChIKey is SWTGGBOAXGBHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-9-12(4,5)14(8,11-3)15-13(6,7)10-2/h15H,9-11H2,1-8H3.
What are the key properties of 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine?
3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-(2-methylbutan-2-yl)hexan-3-amine is sourced from PubChem (CID 90973206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).