2,4,4-trimethylhexan-2-amine

C9H21N — CID 19758058

IUPAC2,4,4-trimethylhexan-2-amine
SMILESCCC(C)(C)CC(C)(C)N
InChIInChI=1S/C9H21N/c1-6-8(2,3)7-9(4,5)10/h6-7,10H2,1-5H3
InChIKeyTZSJUPHSJLIAEW-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.55
Rot. Bonds3

About 2,4,4-trimethylhexan-2-amine

2,4,4-trimethylhexan-2-amine (PubChem CID 19758058) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 2,4,4-trimethylhexan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethylhexan-2-amine
PubChem CID19758058
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name2,4,4-trimethylhexan-2-amine
SMILESCCC(C)(C)CC(C)(C)N
InChIInChI=1S/C9H21N/c1-6-8(2,3)7-9(4,5)10/h6-7,10H2,1-5H3
InChIKeyTZSJUPHSJLIAEW-UHFFFAOYSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethylhexan-2-amine?
The IUPAC name of 2,4,4-trimethylhexan-2-amine (CID 19758058) is 2,4,4-trimethylhexan-2-amine.
What is the SMILES notation for 2,4,4-trimethylhexan-2-amine?
The canonical SMILES for 2,4,4-trimethylhexan-2-amine is CCC(C)(C)CC(C)(C)N.
What is the InChIKey of 2,4,4-trimethylhexan-2-amine?
The InChIKey is TZSJUPHSJLIAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-6-8(2,3)7-9(4,5)10/h6-7,10H2,1-5H3.
What are the key properties of 2,4,4-trimethylhexan-2-amine?
2,4,4-trimethylhexan-2-amine has a molecular weight of 143.27 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethylhexan-2-amine is sourced from PubChem (CID 19758058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).