[butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium

C14H30N3+ — CID 144851109

IUPAC[butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium
SMILESC=CN(/C=[N+](\C)CCCCCNC)CCCC
InChIInChI=1S/C14H30N3/c1-5-7-13-17(6-2)14-16(4)12-10-8-9-11-15-3/h6,14-15H,2,5,7-13H2,1,3-4H3/q+1
InChIKeyIKUPOKUSXGUHKY-UHFFFAOYSA-N
MW240.41 g/mol
LogP2.29
Rot. Bonds11

About [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium

[butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium (PubChem CID 144851109) has the molecular formula C14H30N3+ and a molecular weight of 240.41 g/mol. Its IUPAC name is [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium.

Molecular Properties

Compound Name[butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium
PubChem CID144851109
Molecular FormulaC14H30N3+
Molecular Weight240.41 g/mol
Exact Mass240.24
IUPAC Name[butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium
SMILESC=CN(/C=[N+](\C)CCCCCNC)CCCC
InChIInChI=1S/C14H30N3/c1-5-7-13-17(6-2)14-16(4)12-10-8-9-11-15-3/h6,14-15H,2,5,7-13H2,1,3-4H3/q+1
InChIKeyIKUPOKUSXGUHKY-UHFFFAOYSA-N
XLogP2.29
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.41
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-pentyl-1H-imidazol-1-ium hexafluorophosphate
CID 18629775
N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide
CID 143513162
1-butyl-1H-imidazol-1-ium chloride
CID 66672281
1-butyl-1H-imidazol-1-ium bromide
CID 66978243
1-dodecyl-1H-imidazol-1-ium chloride
CID 11737372
1-octyl-1H-imidazol-1-ium chloride
CID 15801194
1-decyl-1H-imidazol-1-ium
CID 17841393
1-butyl-1H-imidazol-1-ium iodide
CID 21977611
1-pentyl-1H-imidazol-1-ium iodide
CID 21977612
3-methyl-1-propyl-1H-imidazole-1,3-diium
CID 22088709
1-pentyl-1H-imidazol-1-ium tetrafluoroborate
CID 22287813
1-pentyl-1H-imidazol-1-ium
CID 22342452

Frequently Asked Questions

What is the IUPAC name of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium?
The IUPAC name of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium (CID 144851109) is [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium.
What is the SMILES notation for [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium?
The canonical SMILES for [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium is C=CN(/C=[N+](\C)CCCCCNC)CCCC.
What is the InChIKey of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium?
The InChIKey is IKUPOKUSXGUHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N3/c1-5-7-13-17(6-2)14-16(4)12-10-8-9-11-15-3/h6,14-15H,2,5,7-13H2,1,3-4H3/q+1.
What are the key properties of [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium?
[butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium has a molecular weight of 240.41 g/mol, XLogP of 2.29, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(ethenyl)amino]methylidene-methyl-[5-(methylamino)pentyl]azanium is sourced from PubChem (CID 144851109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).