3-ethylhex-1-en-2-amine

C8H17N — CID 87420209

IUPAC3-ethylhex-1-en-2-amine
SMILESC=C(N)C(CC)CCC
InChIInChI=1S/C8H17N/c1-4-6-8(5-2)7(3)9/h8H,3-6,9H2,1-2H3
InChIKeyYATDKNQWTYGPKB-UHFFFAOYSA-N
MW127.23 g/mol
LogP2.29
Rot. Bonds4

About 3-ethylhex-1-en-2-amine

3-ethylhex-1-en-2-amine (PubChem CID 87420209) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is 3-ethylhex-1-en-2-amine.

Molecular Properties

Compound Name3-ethylhex-1-en-2-amine
PubChem CID87420209
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name3-ethylhex-1-en-2-amine
SMILESC=C(N)C(CC)CCC
InChIInChI=1S/C8H17N/c1-4-6-8(5-2)7(3)9/h8H,3-6,9H2,1-2H3
InChIKeyYATDKNQWTYGPKB-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylhex-1-en-2-amine?
The IUPAC name of 3-ethylhex-1-en-2-amine (CID 87420209) is 3-ethylhex-1-en-2-amine.
What is the SMILES notation for 3-ethylhex-1-en-2-amine?
The canonical SMILES for 3-ethylhex-1-en-2-amine is C=C(N)C(CC)CCC.
What is the InChIKey of 3-ethylhex-1-en-2-amine?
The InChIKey is YATDKNQWTYGPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-6-8(5-2)7(3)9/h8H,3-6,9H2,1-2H3.
What are the key properties of 3-ethylhex-1-en-2-amine?
3-ethylhex-1-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylhex-1-en-2-amine is sourced from PubChem (CID 87420209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).