(E)-N,4,5,5-tetramethylhex-3-en-1-amine

C10H21N — CID 83694651

IUPAC(E)-N,4,5,5-tetramethylhex-3-en-1-amine
SMILESCNCC/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(10(2,3)4)7-6-8-11-5/h7,11H,6,8H2,1-5H3/b9-7+
InChIKeyIQBOTCVSHBDLTI-VQHVLOKHSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds3

About (E)-N,4,5,5-tetramethylhex-3-en-1-amine

(E)-N,4,5,5-tetramethylhex-3-en-1-amine (PubChem CID 83694651) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (E)-N,4,5,5-tetramethylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-N,4,5,5-tetramethylhex-3-en-1-amine
PubChem CID83694651
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(E)-N,4,5,5-tetramethylhex-3-en-1-amine
SMILESCNCC/C=C(\C)C(C)(C)C
InChIInChI=1S/C10H21N/c1-9(10(2,3)4)7-6-8-11-5/h7,11H,6,8H2,1-5H3/b9-7+
InChIKeyIQBOTCVSHBDLTI-VQHVLOKHSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N,4,5,5-tetramethylhex-3-en-1-amine?
The IUPAC name of (E)-N,4,5,5-tetramethylhex-3-en-1-amine (CID 83694651) is (E)-N,4,5,5-tetramethylhex-3-en-1-amine.
What is the SMILES notation for (E)-N,4,5,5-tetramethylhex-3-en-1-amine?
The canonical SMILES for (E)-N,4,5,5-tetramethylhex-3-en-1-amine is CNCC/C=C(\C)C(C)(C)C.
What is the InChIKey of (E)-N,4,5,5-tetramethylhex-3-en-1-amine?
The InChIKey is IQBOTCVSHBDLTI-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H21N/c1-9(10(2,3)4)7-6-8-11-5/h7,11H,6,8H2,1-5H3/b9-7+.
What are the key properties of (E)-N,4,5,5-tetramethylhex-3-en-1-amine?
(E)-N,4,5,5-tetramethylhex-3-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4,5,5-tetramethylhex-3-en-1-amine is sourced from PubChem (CID 83694651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).