(E)-2,4,5-trimethylhex-3-en-3-amine

C9H19N — CID 58861518

IUPAC(E)-2,4,5-trimethylhex-3-en-3-amine
SMILESC/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C9H19N/c1-6(2)8(5)9(10)7(3)4/h6-7H,10H2,1-5H3/b9-8+
InChIKeyPRYFQWXDRWQLRP-CMDGGOBGSA-N
MW141.26 g/mol
LogP2.53
Rot. Bonds2

About (E)-2,4,5-trimethylhex-3-en-3-amine

(E)-2,4,5-trimethylhex-3-en-3-amine (PubChem CID 58861518) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-2,4,5-trimethylhex-3-en-3-amine.

Molecular Properties

Compound Name(E)-2,4,5-trimethylhex-3-en-3-amine
PubChem CID58861518
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-2,4,5-trimethylhex-3-en-3-amine
SMILESC/C(=C(\N)C(C)C)C(C)C
InChIInChI=1S/C9H19N/c1-6(2)8(5)9(10)7(3)4/h6-7H,10H2,1-5H3/b9-8+
InChIKeyPRYFQWXDRWQLRP-CMDGGOBGSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2,4,5-trimethylhex-3-en-3-amine?
The IUPAC name of (E)-2,4,5-trimethylhex-3-en-3-amine (CID 58861518) is (E)-2,4,5-trimethylhex-3-en-3-amine.
What is the SMILES notation for (E)-2,4,5-trimethylhex-3-en-3-amine?
The canonical SMILES for (E)-2,4,5-trimethylhex-3-en-3-amine is C/C(=C(\N)C(C)C)C(C)C.
What is the InChIKey of (E)-2,4,5-trimethylhex-3-en-3-amine?
The InChIKey is PRYFQWXDRWQLRP-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19N/c1-6(2)8(5)9(10)7(3)4/h6-7H,10H2,1-5H3/b9-8+.
What are the key properties of (E)-2,4,5-trimethylhex-3-en-3-amine?
(E)-2,4,5-trimethylhex-3-en-3-amine has a molecular weight of 141.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,4,5-trimethylhex-3-en-3-amine is sourced from PubChem (CID 58861518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).