[ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium

C8H18N3+ — CID 54048061

IUPAC[ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium
SMILESCCCN=C=[N+](C)N(C)CC
InChIInChI=1S/C8H18N3/c1-5-7-9-8-11(4)10(3)6-2/h5-7H2,1-4H3/q+1
InChIKeyAFUHUIVGPNSVAK-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.08
Rot. Bonds4

About [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium

[ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium (PubChem CID 54048061) has the molecular formula C8H18N3+ and a molecular weight of 156.25 g/mol. Its IUPAC name is [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium.

Molecular Properties

Compound Name[ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium
PubChem CID54048061
Molecular FormulaC8H18N3+
Molecular Weight156.25 g/mol
Exact Mass156.15
IUPAC Name[ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium
SMILESCCCN=C=[N+](C)N(C)CC
InChIInChI=1S/C8H18N3/c1-5-7-9-8-11(4)10(3)6-2/h5-7H2,1-4H3/q+1
InChIKeyAFUHUIVGPNSVAK-UHFFFAOYSA-N
XLogP1.08
TPSA18.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-Ethyl-3-diisopropylaminocarbodiimide
CID 21186952
(Dimethylamino)-propylcarbodiimide hydrochloride
CID 21807596
Dimethylamino-ethyl-(propyliminomethylidene)azanium
CID 18621174
(Dimethylhydrazinylidene)methylidene-ethyl-propylazanium
CID 21075920
N-methyl-N-(propyliminomethylideneamino)methanamine
CID 21807597
N-(ethyliminomethylideneamino)-N-propan-2-ylpropan-2-amine;hydrochloride
CID 22042041
Dimethylamino-ethyl-(propyliminomethylidene)azanium;hydrochloride
CID 22457602
Dimethylamino-(ethyliminomethylidene)-propylazanium;hydrochloride
CID 22596243
Dimethylamino-(ethyliminomethylidene)-propylazanium
CID 22596244
(Diethylhydrazinylidene)methylidene-ethyl-propylazanium
CID 53691980
N-methyl-N-(propyliminomethylideneamino)ethanamine
CID 53788584
N-ethyl-N-(propyliminomethylideneamino)ethanamine
CID 53851150

Frequently Asked Questions

What is the IUPAC name of [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium?
The IUPAC name of [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium (CID 54048061) is [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium.
What is the SMILES notation for [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium?
The canonical SMILES for [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium is CCCN=C=[N+](C)N(C)CC.
What is the InChIKey of [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium?
The InChIKey is AFUHUIVGPNSVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N3/c1-5-7-9-8-11(4)10(3)6-2/h5-7H2,1-4H3/q+1.
What are the key properties of [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium?
[ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium has a molecular weight of 156.25 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl(methyl)amino]-methyl-(propyliminomethylidene)azanium is sourced from PubChem (CID 54048061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).