2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine

C12H25N — CID 129263487

IUPAC2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine
SMILESC=C(C)NC(C(C)C)C(C)C(C)C
InChIInChI=1S/C12H25N/c1-8(2)11(7)12(9(3)4)13-10(5)6/h8-9,11-13H,5H2,1-4,6-7H3
InChIKeyIIXFRNMHLHWGES-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.43
Rot. Bonds5

About 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine

2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine (PubChem CID 129263487) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine.

Molecular Properties

Compound Name2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine
PubChem CID129263487
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine
SMILESC=C(C)NC(C(C)C)C(C)C(C)C
InChIInChI=1S/C12H25N/c1-8(2)11(7)12(9(3)4)13-10(5)6/h8-9,11-13H,5H2,1-4,6-7H3
InChIKeyIIXFRNMHLHWGES-UHFFFAOYSA-N
XLogP3.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine?
The IUPAC name of 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine (CID 129263487) is 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine.
What is the SMILES notation for 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine?
The canonical SMILES for 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine is C=C(C)NC(C(C)C)C(C)C(C)C.
What is the InChIKey of 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine?
The InChIKey is IIXFRNMHLHWGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-8(2)11(7)12(9(3)4)13-10(5)6/h8-9,11-13H,5H2,1-4,6-7H3.
What are the key properties of 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine?
2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine has a molecular weight of 183.34 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-N-prop-1-en-2-ylhexan-3-amine is sourced from PubChem (CID 129263487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).