(E)-N,5,5-trimethylhex-2-en-1-amine

C9H19N — CID 142399872

IUPAC(E)-N,5,5-trimethylhex-2-en-1-amine
SMILESCNC/C=C/CC(C)(C)C
InChIInChI=1S/C9H19N/c1-9(2,3)7-5-6-8-10-4/h5-6,10H,7-8H2,1-4H3/b6-5+
InChIKeyKEPKXQYRAKQXBQ-AATRIKPKSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds3

About (E)-N,5,5-trimethylhex-2-en-1-amine

(E)-N,5,5-trimethylhex-2-en-1-amine (PubChem CID 142399872) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,5,5-trimethylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,5,5-trimethylhex-2-en-1-amine
PubChem CID142399872
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,5,5-trimethylhex-2-en-1-amine
SMILESCNC/C=C/CC(C)(C)C
InChIInChI=1S/C9H19N/c1-9(2,3)7-5-6-8-10-4/h5-6,10H,7-8H2,1-4H3/b6-5+
InChIKeyKEPKXQYRAKQXBQ-AATRIKPKSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
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)-N,5,5-trimethylhex-2-en-1-amine?
The IUPAC name of (E)-N,5,5-trimethylhex-2-en-1-amine (CID 142399872) is (E)-N,5,5-trimethylhex-2-en-1-amine.
What is the SMILES notation for (E)-N,5,5-trimethylhex-2-en-1-amine?
The canonical SMILES for (E)-N,5,5-trimethylhex-2-en-1-amine is CNC/C=C/CC(C)(C)C.
What is the InChIKey of (E)-N,5,5-trimethylhex-2-en-1-amine?
The InChIKey is KEPKXQYRAKQXBQ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H19N/c1-9(2,3)7-5-6-8-10-4/h5-6,10H,7-8H2,1-4H3/b6-5+.
What are the key properties of (E)-N,5,5-trimethylhex-2-en-1-amine?
(E)-N,5,5-trimethylhex-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,5,5-trimethylhex-2-en-1-amine is sourced from PubChem (CID 142399872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).