but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium

C14H25N2+ — CID 123507402

IUPACbut-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium
SMILESC=CC(C)CCC=C(C)/[N+](C)=N/C(C)C=C
InChIInChI=1S/C14H25N2/c1-7-12(3)10-9-11-14(5)16(6)15-13(4)8-2/h7-8,11-13H,1-2,9-10H2,3-6H3/q+1/b14-11?,16-15+
InChIKeyQQIMDWJXZZJQQC-BHQAMNFOSA-N
MW221.37 g/mol
LogP4.16
Rot. Bonds7

About but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium

but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium (PubChem CID 123507402) has the molecular formula C14H25N2+ and a molecular weight of 221.37 g/mol. Its IUPAC name is but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium.

Molecular Properties

Compound Namebut-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium
PubChem CID123507402
Molecular FormulaC14H25N2+
Molecular Weight221.37 g/mol
Exact Mass221.20
IUPAC Namebut-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium
SMILESC=CC(C)CCC=C(C)/[N+](C)=N/C(C)C=C
InChIInChI=1S/C14H25N2/c1-7-12(3)10-9-11-14(5)16(6)15-13(4)8-2/h7-8,11-13H,1-2,9-10H2,3-6H3/q+1/b14-11?,16-15+
InChIKeyQQIMDWJXZZJQQC-BHQAMNFOSA-N
XLogP4.16
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,5-di(propan-2-yl)-3H-pyrazole
CID 58574928
Dimethyl(6-methylhept-2-en-3-ylimino)azanium
CID 91326574
N,N,6-trimethyl-4-(methyldiazenyl)cyclohexa-2,4-dien-1-amine
CID 139380719
3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole
CID 155337274
3,5-bis(3-methylbutyl)-3H-pyrazole
CID 155337275
5-(4-methylpentyl)-3-(2-methylpropyl)-3H-pyrazole
CID 155337282
3,5-di(butan-2-yl)-3H-pyrazole
CID 173078599
3,5-bis(2-methylpropyl)-3H-pyrazole
CID 173078604
[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene;ethene
CID 176934453
[(Z)-2,7-dimethyloct-3-en-3-yl]-methyldiazene
CID 176934454

Frequently Asked Questions

What is the IUPAC name of but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium?
The IUPAC name of but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium (CID 123507402) is but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium.
What is the SMILES notation for but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium?
The canonical SMILES for but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium is C=CC(C)CCC=C(C)/[N+](C)=N/C(C)C=C.
What is the InChIKey of but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium?
The InChIKey is QQIMDWJXZZJQQC-BHQAMNFOSA-N. The full InChI is InChI=1S/C14H25N2/c1-7-12(3)10-9-11-14(5)16(6)15-13(4)8-2/h7-8,11-13H,1-2,9-10H2,3-6H3/q+1/b14-11?,16-15+.
What are the key properties of but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium?
but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium has a molecular weight of 221.37 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium is sourced from PubChem (CID 123507402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).