N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine

C14H31N4+ — CID 21340437

IUPACN-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCCN(C)CCCN1CCC[N+]2(CCCN2C)C1
InChIInChI=1S/C14H31N4/c1-4-15(2)8-5-10-17-11-7-13-18(14-17)12-6-9-16(18)3/h4-14H2,1-3H3/q+1
InChIKeyGLDKVYLMUCGJQT-UHFFFAOYSA-N
MW255.43 g/mol
LogP1.06
Rot. Bonds5

About N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine

N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 21340437) has the molecular formula C14H31N4+ and a molecular weight of 255.43 g/mol. Its IUPAC name is N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID21340437
Molecular FormulaC14H31N4+
Molecular Weight255.43 g/mol
Exact Mass255.25
IUPAC NameN-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine
SMILESCCN(C)CCCN1CCC[N+]2(CCCN2C)C1
InChIInChI=1S/C14H31N4/c1-4-15(2)8-5-10-17-11-7-13-18(14-17)12-6-9-16(18)3/h4-14H2,1-3H3/q+1
InChIKeyGLDKVYLMUCGJQT-UHFFFAOYSA-N
XLogP1.06
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine (CID 21340437) is N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine is CCN(C)CCCN1CCC[N+]2(CCCN2C)C1.
What is the InChIKey of N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is GLDKVYLMUCGJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N4/c1-4-15(2)8-5-10-17-11-7-13-18(14-17)12-6-9-16(18)3/h4-14H2,1-3H3/q+1.
What are the key properties of N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine?
N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 255.43 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-3-(1-methyl-1,9-diaza-5-azoniaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 21340437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).