hex-5-en-2-yl-methyl-methylideneazanium

C8H16N+ — CID 123858998

IUPAChex-5-en-2-yl-methyl-methylideneazanium
SMILESC=CCCC(C)[N+](=C)C
InChIInChI=1S/C8H16N/c1-5-6-7-8(2)9(3)4/h5,8H,1,3,6-7H2,2,4H3/q+1
InChIKeyHPUZFBVYJHKCTR-UHFFFAOYSA-N
MW126.22 g/mol
LogP1.68
Rot. Bonds4

About hex-5-en-2-yl-methyl-methylideneazanium

hex-5-en-2-yl-methyl-methylideneazanium (PubChem CID 123858998) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is hex-5-en-2-yl-methyl-methylideneazanium.

Molecular Properties

Compound Namehex-5-en-2-yl-methyl-methylideneazanium
PubChem CID123858998
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namehex-5-en-2-yl-methyl-methylideneazanium
SMILESC=CCCC(C)[N+](=C)C
InChIInChI=1S/C8H16N/c1-5-6-7-8(2)9(3)4/h5,8H,1,3,6-7H2,2,4H3/q+1
InChIKeyHPUZFBVYJHKCTR-UHFFFAOYSA-N
XLogP1.68
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
(3S)-3-methylhepta-1,6-diene
CID 145257056
hex-5-ene-2-thiol
CID 12575095
[(2R)-butan-2-yl]-methyl-methylideneazanium
CID 148928636
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
ethane;4-methylocta-1,7-diene
CID 144616064
(5S)-6-iodo-5-methylhex-1-ene
CID 14470371
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
N,N,2-trimethyloct-7-en-4-amine
CID 144657583
5,6,8-trimethylnon-1-ene
CID 123478459
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768

Frequently Asked Questions

What is the IUPAC name of hex-5-en-2-yl-methyl-methylideneazanium?
The IUPAC name of hex-5-en-2-yl-methyl-methylideneazanium (CID 123858998) is hex-5-en-2-yl-methyl-methylideneazanium.
What is the SMILES notation for hex-5-en-2-yl-methyl-methylideneazanium?
The canonical SMILES for hex-5-en-2-yl-methyl-methylideneazanium is C=CCCC(C)[N+](=C)C.
What is the InChIKey of hex-5-en-2-yl-methyl-methylideneazanium?
The InChIKey is HPUZFBVYJHKCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N/c1-5-6-7-8(2)9(3)4/h5,8H,1,3,6-7H2,2,4H3/q+1.
What are the key properties of hex-5-en-2-yl-methyl-methylideneazanium?
hex-5-en-2-yl-methyl-methylideneazanium has a molecular weight of 126.22 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-en-2-yl-methyl-methylideneazanium is sourced from PubChem (CID 123858998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).