(4S)-4-ethylhex-5-ene-2,3-diamine

C8H18N2 — CID 88556070

IUPAC(4S)-4-ethylhex-5-ene-2,3-diamine
SMILESC=C[C@H](CC)C(N)C(C)N
InChIInChI=1S/C8H18N2/c1-4-7(5-2)8(10)6(3)9/h4,6-8H,1,5,9-10H2,2-3H3/t6?,7-,8?/m1/s1
InChIKeyMKYIIJDGQYTNOX-ZUEIMRROSA-N
MW142.25 g/mol
LogP0.87
Rot. Bonds4

About (4S)-4-ethylhex-5-ene-2,3-diamine

(4S)-4-ethylhex-5-ene-2,3-diamine (PubChem CID 88556070) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (4S)-4-ethylhex-5-ene-2,3-diamine.

Molecular Properties

Compound Name(4S)-4-ethylhex-5-ene-2,3-diamine
PubChem CID88556070
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(4S)-4-ethylhex-5-ene-2,3-diamine
SMILESC=C[C@H](CC)C(N)C(C)N
InChIInChI=1S/C8H18N2/c1-4-7(5-2)8(10)6(3)9/h4,6-8H,1,5,9-10H2,2-3H3/t6?,7-,8?/m1/s1
InChIKeyMKYIIJDGQYTNOX-ZUEIMRROSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (4S)-4-ethylhex-5-ene-2,3-diamine?
The IUPAC name of (4S)-4-ethylhex-5-ene-2,3-diamine (CID 88556070) is (4S)-4-ethylhex-5-ene-2,3-diamine.
What is the SMILES notation for (4S)-4-ethylhex-5-ene-2,3-diamine?
The canonical SMILES for (4S)-4-ethylhex-5-ene-2,3-diamine is C=C[C@H](CC)C(N)C(C)N.
What is the InChIKey of (4S)-4-ethylhex-5-ene-2,3-diamine?
The InChIKey is MKYIIJDGQYTNOX-ZUEIMRROSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-7(5-2)8(10)6(3)9/h4,6-8H,1,5,9-10H2,2-3H3/t6?,7-,8?/m1/s1.
What are the key properties of (4S)-4-ethylhex-5-ene-2,3-diamine?
(4S)-4-ethylhex-5-ene-2,3-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethylhex-5-ene-2,3-diamine is sourced from PubChem (CID 88556070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).