(E,5R)-5-ethenylhex-2-ene-1,6-diamine

C8H16N2 — CID 124537933

IUPAC(E,5R)-5-ethenylhex-2-ene-1,6-diamine
SMILESC=C[C@H](CN)C/C=C/CN
InChIInChI=1S/C8H16N2/c1-2-8(7-10)5-3-4-6-9/h2-4,8H,1,5-7,9-10H2/b4-3+/t8-/m0/s1
InChIKeyMVKVDSWBFNBJTA-RTMURIBGSA-N
MW140.23 g/mol
LogP0.65
Rot. Bonds5

About (E,5R)-5-ethenylhex-2-ene-1,6-diamine

(E,5R)-5-ethenylhex-2-ene-1,6-diamine (PubChem CID 124537933) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (E,5R)-5-ethenylhex-2-ene-1,6-diamine.

Molecular Properties

Compound Name(E,5R)-5-ethenylhex-2-ene-1,6-diamine
PubChem CID124537933
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(E,5R)-5-ethenylhex-2-ene-1,6-diamine
SMILESC=C[C@H](CN)C/C=C/CN
InChIInChI=1S/C8H16N2/c1-2-8(7-10)5-3-4-6-9/h2-4,8H,1,5-7,9-10H2/b4-3+/t8-/m0/s1
InChIKeyMVKVDSWBFNBJTA-RTMURIBGSA-N
XLogP0.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-ethenyldeca-2,8-diene-1,10-diamine
CID 74060050
5-methylhex-2-en-1-amine;hydrochloride
CID 173399515
(1Z,3E)-6-ethylocta-1,3,7-trien-1-amine
CID 174042590
N'-[2-(aminomethyl)but-3-enyl]methanimidamide
CID 130349858
(Z,2R)-6-aminohex-4-en-2-ol
CID 164590352
(3R)-3-ethylpent-4-en-1-amine
CID 122576147
(2E,8Z)-5-ethenyldeca-2,8-diene-1,10-diol;methane
CID 160519828
hepta-2,5-diene-1,7-diamine
CID 56638039
(4S)-4-propan-2-ylhexa-2,5-dien-1-amine
CID 90743426
5-ethylhepta-2,6-dienoic acid
CID 91381848
(5E)-3-ethyl-7-methylidenenona-1,5-diene
CID 22448221
5-ethenyloct-2-ene
CID 91485843

Frequently Asked Questions

What is the IUPAC name of (E,5R)-5-ethenylhex-2-ene-1,6-diamine?
The IUPAC name of (E,5R)-5-ethenylhex-2-ene-1,6-diamine (CID 124537933) is (E,5R)-5-ethenylhex-2-ene-1,6-diamine.
What is the SMILES notation for (E,5R)-5-ethenylhex-2-ene-1,6-diamine?
The canonical SMILES for (E,5R)-5-ethenylhex-2-ene-1,6-diamine is C=C[C@H](CN)C/C=C/CN.
What is the InChIKey of (E,5R)-5-ethenylhex-2-ene-1,6-diamine?
The InChIKey is MVKVDSWBFNBJTA-RTMURIBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-2-8(7-10)5-3-4-6-9/h2-4,8H,1,5-7,9-10H2/b4-3+/t8-/m0/s1.
What are the key properties of (E,5R)-5-ethenylhex-2-ene-1,6-diamine?
(E,5R)-5-ethenylhex-2-ene-1,6-diamine has a molecular weight of 140.23 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5R)-5-ethenylhex-2-ene-1,6-diamine is sourced from PubChem (CID 124537933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).