ethyl-imino-(3-methylpentyl)azanium

C8H19N2+ — CID 123384930

IUPACethyl-imino-(3-methylpentyl)azanium
SMILES[H]/N=[N+](\CC)CCC(C)CC
InChIInChI=1S/C8H19N2/c1-4-8(3)6-7-10(9)5-2/h8-9H,4-7H2,1-3H3/q+1/b10-9+
InChIKeyANPUWISMWLTGIO-MDZDMXLPSA-N
MW143.25 g/mol
LogP2.49
Rot. Bonds5

About ethyl-imino-(3-methylpentyl)azanium

ethyl-imino-(3-methylpentyl)azanium (PubChem CID 123384930) has the molecular formula C8H19N2+ and a molecular weight of 143.25 g/mol. Its IUPAC name is ethyl-imino-(3-methylpentyl)azanium.

Molecular Properties

Compound Nameethyl-imino-(3-methylpentyl)azanium
PubChem CID123384930
Molecular FormulaC8H19N2+
Molecular Weight143.25 g/mol
Exact Mass143.15
IUPAC Nameethyl-imino-(3-methylpentyl)azanium
SMILES[H]/N=[N+](\CC)CCC(C)CC
InChIInChI=1S/C8H19N2/c1-4-8(3)6-7-10(9)5-2/h8-9H,4-7H2,1-3H3/q+1/b10-9+
InChIKeyANPUWISMWLTGIO-MDZDMXLPSA-N
XLogP2.49
TPSA26.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

methyl-methylidene-(3-methylpentyl)azanium
CID 123886397
3-methylpentane;propane
CID 123266773
2,5-dimethylheptane;propane
CID 145235091
(3R,7R)-3,7-dimethylnonane
CID 42626759
ethyl-methyl-(3-methylpentyl)borane
CID 123735325
3-methylheptane;nickel
CID 158967838
5,9-dimethylundecan-2-imine
CID 163570105
4,7-dimethylnonan-2-imine
CID 123346808
ethylperoxyethane;3-methylheptane
CID 161352622
ethane;3-methylheptane;propan-2-imine
CID 142132474
(3R,6S)-3,6-dimethyldecane
CID 170848353
3-methyldodecane
CID 28469

Frequently Asked Questions

What is the IUPAC name of ethyl-imino-(3-methylpentyl)azanium?
The IUPAC name of ethyl-imino-(3-methylpentyl)azanium (CID 123384930) is ethyl-imino-(3-methylpentyl)azanium.
What is the SMILES notation for ethyl-imino-(3-methylpentyl)azanium?
The canonical SMILES for ethyl-imino-(3-methylpentyl)azanium is [H]/N=[N+](\CC)CCC(C)CC.
What is the InChIKey of ethyl-imino-(3-methylpentyl)azanium?
The InChIKey is ANPUWISMWLTGIO-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H19N2/c1-4-8(3)6-7-10(9)5-2/h8-9H,4-7H2,1-3H3/q+1/b10-9+.
What are the key properties of ethyl-imino-(3-methylpentyl)azanium?
ethyl-imino-(3-methylpentyl)azanium has a molecular weight of 143.25 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-imino-(3-methylpentyl)azanium is sourced from PubChem (CID 123384930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).