ethylamino-methyl-pent-3-en-2-ylazanium

C8H19N2+ — CID 163496466

IUPACethylamino-methyl-pent-3-en-2-ylazanium
SMILESCC=CC(C)[NH+](C)NCC
InChIInChI=1S/C8H18N2/c1-5-7-8(3)10(4)9-6-2/h5,7-9H,6H2,1-4H3/p+1
InChIKeyCRDICSRLJLRJIK-UHFFFAOYSA-O
MW143.25 g/mol
LogP-0.01
Rot. Bonds4

About ethylamino-methyl-pent-3-en-2-ylazanium

ethylamino-methyl-pent-3-en-2-ylazanium (PubChem CID 163496466) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is ethylamino-methyl-pent-3-en-2-ylazanium.

Molecular Properties

Compound Nameethylamino-methyl-pent-3-en-2-ylazanium
PubChem CID163496466
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Nameethylamino-methyl-pent-3-en-2-ylazanium
SMILESCC=CC(C)[NH+](C)NCC
InChIInChI=1S/C8H18N2/c1-5-7-8(3)10(4)9-6-2/h5,7-9H,6H2,1-4H3/p+1
InChIKeyCRDICSRLJLRJIK-UHFFFAOYSA-O
XLogP-0.01
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 143979789
N,N-dimethyl-N'-(octa-2,7-dien-1-yl)hydrazine
CID 129739724
(3S,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine
CID 134887355
(3R,6R)-3,6-dimethyl-1,2,3,6-tetrahydropyridazine
CID 134887376
1,6-Dimethyl-1,2,3,6-tetrahydropyridazine
CID 167530640
3,6-Diethyl-1,2,3,6-tetrahydropyridazine
CID 23385901
3-Methyl-1,2,3,6-tetrahydropyridazine
CID 68099565
2-ethyl-1-methyl-1-[(2E,6E)-octa-2,6-dienyl]hydrazine
CID 87095659
2-ethyl-1-methyl-1-[(2E)-octa-2,7-dienyl]hydrazine
CID 87095667
2-ethyl-1-methyl-1-[(2E,5E)-octa-2,5-dienyl]hydrazine
CID 87095684
2-ethyl-1-methyl-1-[(2E,4E)-octa-2,4-dienyl]hydrazine
CID 87095749
2-ethyl-1-methyl-1-[(3E,6E)-octa-3,6-dienyl]hydrazine
CID 87095757

Frequently Asked Questions

What is the IUPAC name of ethylamino-methyl-pent-3-en-2-ylazanium?
The IUPAC name of ethylamino-methyl-pent-3-en-2-ylazanium (CID 163496466) is ethylamino-methyl-pent-3-en-2-ylazanium.
What is the SMILES notation for ethylamino-methyl-pent-3-en-2-ylazanium?
The canonical SMILES for ethylamino-methyl-pent-3-en-2-ylazanium is CC=CC(C)[NH+](C)NCC.
What is the InChIKey of ethylamino-methyl-pent-3-en-2-ylazanium?
The InChIKey is CRDICSRLJLRJIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H18N2/c1-5-7-8(3)10(4)9-6-2/h5,7-9H,6H2,1-4H3/p+1.
What are the key properties of ethylamino-methyl-pent-3-en-2-ylazanium?
ethylamino-methyl-pent-3-en-2-ylazanium has a molecular weight of 143.25 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino-methyl-pent-3-en-2-ylazanium is sourced from PubChem (CID 163496466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).