(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine

C11H23N — CID 126725525

IUPAC(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine
SMILESC/C=C(\N(C)CC)C(C)(C)CC
InChIInChI=1S/C11H23N/c1-7-10(12(6)9-3)11(4,5)8-2/h7H,8-9H2,1-6H3/b10-7-
InChIKeyXYIHCBBJDJEYBT-YFHOEESVSA-N
MW169.31 g/mol
LogP3.28
Rot. Bonds4

About (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine

(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine (PubChem CID 126725525) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine
PubChem CID126725525
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine
SMILESC/C=C(\N(C)CC)C(C)(C)CC
InChIInChI=1S/C11H23N/c1-7-10(12(6)9-3)11(4,5)8-2/h7H,8-9H2,1-6H3/b10-7-
InChIKeyXYIHCBBJDJEYBT-YFHOEESVSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine?
The IUPAC name of (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine (CID 126725525) is (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine.
What is the SMILES notation for (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine?
The canonical SMILES for (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine is C/C=C(\N(C)CC)C(C)(C)CC.
What is the InChIKey of (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine?
The InChIKey is XYIHCBBJDJEYBT-YFHOEESVSA-N. The full InChI is InChI=1S/C11H23N/c1-7-10(12(6)9-3)11(4,5)8-2/h7H,8-9H2,1-6H3/b10-7-.
What are the key properties of (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine?
(Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N,4,4-trimethylhex-2-en-3-amine is sourced from PubChem (CID 126725525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).