(Z)-hex-3-ene;methylazanium

C7H18N+ — CID 158917607

IUPAC(Z)-hex-3-ene;methylazanium
SMILESCC/C=C\CC.C[NH3+]
InChIInChI=1S/C6H12.CH5N/c1-3-5-6-4-2;1-2/h5-6H,3-4H2,1-2H3;2H2,1H3/p+1/b6-5-;
InChIKeyJHKTXXCHOILAHM-YSMBQZINSA-O
MW116.23 g/mol
LogP1.22
Rot. Bonds2

About (Z)-hex-3-ene;methylazanium

(Z)-hex-3-ene;methylazanium (PubChem CID 158917607) has the molecular formula C7H18N+ and a molecular weight of 116.23 g/mol. Its IUPAC name is (Z)-hex-3-ene;methylazanium.

Molecular Properties

Compound Name(Z)-hex-3-ene;methylazanium
PubChem CID158917607
Molecular FormulaC7H18N+
Molecular Weight116.23 g/mol
Exact Mass116.14
IUPAC Name(Z)-hex-3-ene;methylazanium
SMILESCC/C=C\CC.C[NH3+]
InChIInChI=1S/C6H12.CH5N/c1-3-5-6-4-2;1-2/h5-6H,3-4H2,1-2H3;2H2,1H3/p+1/b6-5-;
InChIKeyJHKTXXCHOILAHM-YSMBQZINSA-O
XLogP1.22
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265
magnesium;(Z)-hex-3-ene;dibromide
CID 175085917
pentadeca-3,6,9,12-tetraene
CID 123748490
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
hept-4-enylazanium
CID 148945240
(Z)-hex-3-ene
CID 154602918
carbon dioxide;hex-3-ene;hydrate
CID 175552917
(5E)-octa-3,5-diene
CID 173104147
(3E,16E)-nonadeca-3,16-diene
CID 157471321
acetic acid;(Z)-hex-3-ene
CID 87142970

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-ene;methylazanium?
The IUPAC name of (Z)-hex-3-ene;methylazanium (CID 158917607) is (Z)-hex-3-ene;methylazanium.
What is the SMILES notation for (Z)-hex-3-ene;methylazanium?
The canonical SMILES for (Z)-hex-3-ene;methylazanium is CC/C=C\CC.C[NH3+].
What is the InChIKey of (Z)-hex-3-ene;methylazanium?
The InChIKey is JHKTXXCHOILAHM-YSMBQZINSA-O. The full InChI is InChI=1S/C6H12.CH5N/c1-3-5-6-4-2;1-2/h5-6H,3-4H2,1-2H3;2H2,1H3/p+1/b6-5-;.
What are the key properties of (Z)-hex-3-ene;methylazanium?
(Z)-hex-3-ene;methylazanium has a molecular weight of 116.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-ene;methylazanium is sourced from PubChem (CID 158917607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).