ethyl-methylidene-(3-methylpent-4-enyl)azanium

C9H18N+ — CID 123195480

IUPACethyl-methylidene-(3-methylpent-4-enyl)azanium
SMILESC=CC(C)CC[N+](=C)CC
InChIInChI=1S/C9H18N/c1-5-9(3)7-8-10(4)6-2/h5,9H,1,4,6-8H2,2-3H3/q+1
InChIKeySJZXXIKADODYIF-UHFFFAOYSA-N
MW140.25 g/mol
LogP1.93
Rot. Bonds5

About ethyl-methylidene-(3-methylpent-4-enyl)azanium

ethyl-methylidene-(3-methylpent-4-enyl)azanium (PubChem CID 123195480) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is ethyl-methylidene-(3-methylpent-4-enyl)azanium.

Molecular Properties

Compound Nameethyl-methylidene-(3-methylpent-4-enyl)azanium
PubChem CID123195480
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Nameethyl-methylidene-(3-methylpent-4-enyl)azanium
SMILESC=CC(C)CC[N+](=C)CC
InChIInChI=1S/C9H18N/c1-5-9(3)7-8-10(4)6-2/h5,9H,1,4,6-8H2,2-3H3/q+1
InChIKeySJZXXIKADODYIF-UHFFFAOYSA-N
XLogP1.93
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 51.93
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

5-(N,N-diisobutylamino)-1-pentene
CID 88291345
N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine
CID 170249868
N,N-dimethyl-2-prop-2-enylnona-3,4,8-trien-1-amine
CID 12715945
N,N-dimethyl-2-prop-2-enylnona-3,4-dien-1-amine
CID 85912130
N,N,3-trimethylpent-4-en-1-amine
CID 20739799
(3R)-N,N,3-trimethylpent-4-en-1-amine
CID 60098470
(3S)-N,N,3-trimethylpent-4-en-1-amine
CID 60098481
N,N,2-trimethylpent-4-en-1-amine
CID 86183414
N-butyl-N,2-dimethylbut-3-en-1-amine
CID 86196430
3-Ethenyl-1-propylpyrrolidine
CID 89149195
N,N,2,3-tetramethylpent-4-en-1-amine
CID 118055444
N-but-3-enyl-N,3-dimethylbutan-1-amine
CID 123178375

Frequently Asked Questions

What is the IUPAC name of ethyl-methylidene-(3-methylpent-4-enyl)azanium?
The IUPAC name of ethyl-methylidene-(3-methylpent-4-enyl)azanium (CID 123195480) is ethyl-methylidene-(3-methylpent-4-enyl)azanium.
What is the SMILES notation for ethyl-methylidene-(3-methylpent-4-enyl)azanium?
The canonical SMILES for ethyl-methylidene-(3-methylpent-4-enyl)azanium is C=CC(C)CC[N+](=C)CC.
What is the InChIKey of ethyl-methylidene-(3-methylpent-4-enyl)azanium?
The InChIKey is SJZXXIKADODYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-5-9(3)7-8-10(4)6-2/h5,9H,1,4,6-8H2,2-3H3/q+1.
What are the key properties of ethyl-methylidene-(3-methylpent-4-enyl)azanium?
ethyl-methylidene-(3-methylpent-4-enyl)azanium has a molecular weight of 140.25 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidene-(3-methylpent-4-enyl)azanium is sourced from PubChem (CID 123195480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).