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

C9H19N — CID 166660813

IUPAC(E)-2,5,5-trimethylhex-3-en-2-amine
SMILESCC(C)(C)/C=C/C(C)(C)N
InChIInChI=1S/C9H19N/c1-8(2,3)6-7-9(4,5)10/h6-7H,10H2,1-5H3/b7-6+
InChIKeyRISIYIFQIBXBJP-VOTSOKGWSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds1

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

(E)-2,5,5-trimethylhex-3-en-2-amine (PubChem CID 166660813) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-2,5,5-trimethylhex-3-en-2-amine.

Molecular Properties

Compound Name(E)-2,5,5-trimethylhex-3-en-2-amine
PubChem CID166660813
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-2,5,5-trimethylhex-3-en-2-amine
SMILESCC(C)(C)/C=C/C(C)(C)N
InChIInChI=1S/C9H19N/c1-8(2,3)6-7-9(4,5)10/h6-7H,10H2,1-5H3/b7-6+
InChIKeyRISIYIFQIBXBJP-VOTSOKGWSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-2,5,5-trimethylhex-3-en-2-amine?
The IUPAC name of (E)-2,5,5-trimethylhex-3-en-2-amine (CID 166660813) is (E)-2,5,5-trimethylhex-3-en-2-amine.
What is the SMILES notation for (E)-2,5,5-trimethylhex-3-en-2-amine?
The canonical SMILES for (E)-2,5,5-trimethylhex-3-en-2-amine is CC(C)(C)/C=C/C(C)(C)N.
What is the InChIKey of (E)-2,5,5-trimethylhex-3-en-2-amine?
The InChIKey is RISIYIFQIBXBJP-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2,3)6-7-9(4,5)10/h6-7H,10H2,1-5H3/b7-6+.
What are the key properties of (E)-2,5,5-trimethylhex-3-en-2-amine?
(E)-2,5,5-trimethylhex-3-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,5,5-trimethylhex-3-en-2-amine is sourced from PubChem (CID 166660813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).