1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium

C11H28N3+ — CID 18761674

IUPAC1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium
SMILESCNC(C)C[N+](C)(C)C(C)CN(C)C
InChIInChI=1S/C11H28N3/c1-10(12-3)9-14(6,7)11(2)8-13(4)5/h10-12H,8-9H2,1-7H3/q+1
InChIKeyWNUCOALXDGNNQE-UHFFFAOYSA-N
MW202.37 g/mol
LogP0.62
Rot. Bonds6

About 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium

1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium (PubChem CID 18761674) has the molecular formula C11H28N3+ and a molecular weight of 202.37 g/mol. Its IUPAC name is 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium.

Molecular Properties

Compound Name1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium
PubChem CID18761674
Molecular FormulaC11H28N3+
Molecular Weight202.37 g/mol
Exact Mass202.23
IUPAC Name1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium
SMILESCNC(C)C[N+](C)(C)C(C)CN(C)C
InChIInChI=1S/C11H28N3/c1-10(12-3)9-14(6,7)11(2)8-13(4)5/h10-12H,8-9H2,1-7H3/q+1
InChIKeyWNUCOALXDGNNQE-UHFFFAOYSA-N
XLogP0.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium?
The IUPAC name of 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium (CID 18761674) is 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium.
What is the SMILES notation for 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium?
The canonical SMILES for 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium is CNC(C)C[N+](C)(C)C(C)CN(C)C.
What is the InChIKey of 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium?
The InChIKey is WNUCOALXDGNNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N3/c1-10(12-3)9-14(6,7)11(2)8-13(4)5/h10-12H,8-9H2,1-7H3/q+1.
What are the key properties of 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium?
1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium has a molecular weight of 202.37 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)propan-2-yl-dimethyl-[2-(methylamino)propyl]azanium is sourced from PubChem (CID 18761674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).