(4R)-4-ethylhex-5-en-1-amine

C8H17N — CID 24767553

IUPAC(4R)-4-ethylhex-5-en-1-amine
SMILESC=C[C@H](CC)CCCN
InChIInChI=1S/C8H17N/c1-3-8(4-2)6-5-7-9/h3,8H,1,4-7,9H2,2H3/t8-/m1/s1
InChIKeyOJHSEANEICLVNC-MRVPVSSYSA-N
MW127.23 g/mol
LogP1.94
Rot. Bonds5

About (4R)-4-ethylhex-5-en-1-amine

(4R)-4-ethylhex-5-en-1-amine (PubChem CID 24767553) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (4R)-4-ethylhex-5-en-1-amine.

Molecular Properties

Compound Name(4R)-4-ethylhex-5-en-1-amine
PubChem CID24767553
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(4R)-4-ethylhex-5-en-1-amine
SMILESC=C[C@H](CC)CCCN
InChIInChI=1S/C8H17N/c1-3-8(4-2)6-5-7-9/h3,8H,1,4-7,9H2,2H3/t8-/m1/s1
InChIKeyOJHSEANEICLVNC-MRVPVSSYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.94
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 (4R)-4-ethylhex-5-en-1-amine?
The IUPAC name of (4R)-4-ethylhex-5-en-1-amine (CID 24767553) is (4R)-4-ethylhex-5-en-1-amine.
What is the SMILES notation for (4R)-4-ethylhex-5-en-1-amine?
The canonical SMILES for (4R)-4-ethylhex-5-en-1-amine is C=C[C@H](CC)CCCN.
What is the InChIKey of (4R)-4-ethylhex-5-en-1-amine?
The InChIKey is OJHSEANEICLVNC-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-8(4-2)6-5-7-9/h3,8H,1,4-7,9H2,2H3/t8-/m1/s1.
What are the key properties of (4R)-4-ethylhex-5-en-1-amine?
(4R)-4-ethylhex-5-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-ethylhex-5-en-1-amine is sourced from PubChem (CID 24767553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).