2,2,4,5,5-pentamethylhex-3-en-3-amine

C11H23N — CID 162278721

IUPAC2,2,4,5,5-pentamethylhex-3-en-3-amine
SMILESCC(=C(N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N/c1-8(10(2,3)4)9(12)11(5,6)7/h12H2,1-7H3
InChIKeySHBKHDWQVXXCGU-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.31
Rot. Bonds

About 2,2,4,5,5-pentamethylhex-3-en-3-amine

2,2,4,5,5-pentamethylhex-3-en-3-amine (PubChem CID 162278721) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,2,4,5,5-pentamethylhex-3-en-3-amine.

Molecular Properties

Compound Name2,2,4,5,5-pentamethylhex-3-en-3-amine
PubChem CID162278721
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,2,4,5,5-pentamethylhex-3-en-3-amine
SMILESCC(=C(N)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C11H23N/c1-8(10(2,3)4)9(12)11(5,6)7/h12H2,1-7H3
InChIKeySHBKHDWQVXXCGU-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,5,5-pentamethylhex-3-en-3-amine?
The IUPAC name of 2,2,4,5,5-pentamethylhex-3-en-3-amine (CID 162278721) is 2,2,4,5,5-pentamethylhex-3-en-3-amine.
What is the SMILES notation for 2,2,4,5,5-pentamethylhex-3-en-3-amine?
The canonical SMILES for 2,2,4,5,5-pentamethylhex-3-en-3-amine is CC(=C(N)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2,4,5,5-pentamethylhex-3-en-3-amine?
The InChIKey is SHBKHDWQVXXCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-8(10(2,3)4)9(12)11(5,6)7/h12H2,1-7H3.
What are the key properties of 2,2,4,5,5-pentamethylhex-3-en-3-amine?
2,2,4,5,5-pentamethylhex-3-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,5,5-pentamethylhex-3-en-3-amine is sourced from PubChem (CID 162278721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).