ethyl-ethylidene-(3-methylpent-3-enyl)azanium

C10H20N+ — CID 123358771

IUPACethyl-ethylidene-(3-methylpent-3-enyl)azanium
SMILESCC=C(C)CC/[N+](=C/C)CC
InChIInChI=1S/C10H20N/c1-5-10(4)8-9-11(6-2)7-3/h5-6H,7-9H2,1-4H3/q+1/b10-5?,11-6+
InChIKeyKTVUINNPIFNOTQ-MTJZURGOSA-N
MW154.28 g/mol
LogP2.47
Rot. Bonds4

About ethyl-ethylidene-(3-methylpent-3-enyl)azanium

ethyl-ethylidene-(3-methylpent-3-enyl)azanium (PubChem CID 123358771) has the molecular formula C10H20N+ and a molecular weight of 154.28 g/mol. Its IUPAC name is ethyl-ethylidene-(3-methylpent-3-enyl)azanium.

Molecular Properties

Compound Nameethyl-ethylidene-(3-methylpent-3-enyl)azanium
PubChem CID123358771
Molecular FormulaC10H20N+
Molecular Weight154.28 g/mol
Exact Mass154.16
IUPAC Nameethyl-ethylidene-(3-methylpent-3-enyl)azanium
SMILESCC=C(C)CC/[N+](=C/C)CC
InChIInChI=1S/C10H20N/c1-5-10(4)8-9-11(6-2)7-3/h5-6H,7-9H2,1-4H3/q+1/b10-5?,11-6+
InChIKeyKTVUINNPIFNOTQ-MTJZURGOSA-N
XLogP2.47
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.47
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

(E,4Z)-2-ethyl-4-(fluoromethylimino)-N,N-dimethylbut-2-en-1-amine
CID 144126167
1-(6-methylhept-5-enyl)-3,4-dihydro-2H-pyrrol-1-ium
CID 134837657
N-butyl-N,4-dimethylpent-3-en-1-amine
CID 89358339
5,6-Dimethylhepta-2,5-dienylidene(dimethyl)azanium
CID 123155771
Ethylidene-methyl-(4-methylpent-3-enyl)azanium
CID 123222677
N-(2,3-dimethylpent-3-enyl)ethanimine
CID 123491658
4,5-Dimethylhexa-3,5-dienylidene(dimethyl)azanium
CID 123767520
(E)-3-methyl-N,N-dipropylpent-3-en-1-amine
CID 132172472
N,N-diethyl-3-methylpent-3-en-1-amine
CID 141001807
3-methyl-N,N-dipropylpent-3-en-1-amine
CID 141081847
N-ethyl-N,3-dimethylpent-3-en-1-amine
CID 141102807
N,N-dibutyl-3-methylpent-3-en-1-amine
CID 141366893

Frequently Asked Questions

What is the IUPAC name of ethyl-ethylidene-(3-methylpent-3-enyl)azanium?
The IUPAC name of ethyl-ethylidene-(3-methylpent-3-enyl)azanium (CID 123358771) is ethyl-ethylidene-(3-methylpent-3-enyl)azanium.
What is the SMILES notation for ethyl-ethylidene-(3-methylpent-3-enyl)azanium?
The canonical SMILES for ethyl-ethylidene-(3-methylpent-3-enyl)azanium is CC=C(C)CC/[N+](=C/C)CC.
What is the InChIKey of ethyl-ethylidene-(3-methylpent-3-enyl)azanium?
The InChIKey is KTVUINNPIFNOTQ-MTJZURGOSA-N. The full InChI is InChI=1S/C10H20N/c1-5-10(4)8-9-11(6-2)7-3/h5-6H,7-9H2,1-4H3/q+1/b10-5?,11-6+.
What are the key properties of ethyl-ethylidene-(3-methylpent-3-enyl)azanium?
ethyl-ethylidene-(3-methylpent-3-enyl)azanium has a molecular weight of 154.28 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-ethylidene-(3-methylpent-3-enyl)azanium is sourced from PubChem (CID 123358771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).