(E)-2-ethylhex-1-en-1-amine

C8H17N — CID 14532545

IUPAC(E)-2-ethylhex-1-en-1-amine
SMILESCCCC/C(=C/N)CC
InChIInChI=1S/C8H17N/c1-3-5-6-8(4-2)7-9/h7H,3-6,9H2,1-2H3/b8-7+
InChIKeySHVKNGSPPDSCGQ-BQYQJAHWSA-N
MW127.23 g/mol
LogP2.43
Rot. Bonds4

About (E)-2-ethylhex-1-en-1-amine

(E)-2-ethylhex-1-en-1-amine (PubChem CID 14532545) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-2-ethylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-2-ethylhex-1-en-1-amine
PubChem CID14532545
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-2-ethylhex-1-en-1-amine
SMILESCCCC/C(=C/N)CC
InChIInChI=1S/C8H17N/c1-3-5-6-8(4-2)7-9/h7H,3-6,9H2,1-2H3/b8-7+
InChIKeySHVKNGSPPDSCGQ-BQYQJAHWSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-ethylhex-1-en-1-amine?
The IUPAC name of (E)-2-ethylhex-1-en-1-amine (CID 14532545) is (E)-2-ethylhex-1-en-1-amine.
What is the SMILES notation for (E)-2-ethylhex-1-en-1-amine?
The canonical SMILES for (E)-2-ethylhex-1-en-1-amine is CCCC/C(=C/N)CC.
What is the InChIKey of (E)-2-ethylhex-1-en-1-amine?
The InChIKey is SHVKNGSPPDSCGQ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H17N/c1-3-5-6-8(4-2)7-9/h7H,3-6,9H2,1-2H3/b8-7+.
What are the key properties of (E)-2-ethylhex-1-en-1-amine?
(E)-2-ethylhex-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethylhex-1-en-1-amine is sourced from PubChem (CID 14532545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).