methylamino(tripropyl)azanium

C10H25N2+ — CID 11608163

IUPACmethylamino(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)NC
InChIInChI=1S/C10H25N2/c1-5-8-12(11-4,9-6-2)10-7-3/h11H,5-10H2,1-4H3/q+1
InChIKeyQJFZSFZSOGGMCB-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.17
Rot. Bonds7

About methylamino(tripropyl)azanium

methylamino(tripropyl)azanium (PubChem CID 11608163) has the molecular formula C10H25N2+ and a molecular weight of 173.32 g/mol. Its IUPAC name is methylamino(tripropyl)azanium.

Molecular Properties

Compound Namemethylamino(tripropyl)azanium
PubChem CID11608163
Molecular FormulaC10H25N2+
Molecular Weight173.32 g/mol
Exact Mass173.20
IUPAC Namemethylamino(tripropyl)azanium
SMILESCCC[N+](CCC)(CCC)NC
InChIInChI=1S/C10H25N2/c1-5-8-12(11-4,9-6-2)10-7-3/h11H,5-10H2,1-4H3/q+1
InChIKeyQJFZSFZSOGGMCB-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methylamino(tripropyl)azanium?
The IUPAC name of methylamino(tripropyl)azanium (CID 11608163) is methylamino(tripropyl)azanium.
What is the SMILES notation for methylamino(tripropyl)azanium?
The canonical SMILES for methylamino(tripropyl)azanium is CCC[N+](CCC)(CCC)NC.
What is the InChIKey of methylamino(tripropyl)azanium?
The InChIKey is QJFZSFZSOGGMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N2/c1-5-8-12(11-4,9-6-2)10-7-3/h11H,5-10H2,1-4H3/q+1.
What are the key properties of methylamino(tripropyl)azanium?
methylamino(tripropyl)azanium has a molecular weight of 173.32 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino(tripropyl)azanium is sourced from PubChem (CID 11608163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).