trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium

C10H23N2+ — CID 123855769

IUPACtrimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium
SMILESC=C(C)NCCCC[N+](C)(C)C
InChIInChI=1S/C10H23N2/c1-10(2)11-8-6-7-9-12(3,4)5/h11H,1,6-9H2,2-5H3/q+1
InChIKeyFLSNPTPVZRVLPP-UHFFFAOYSA-N
MW171.31 g/mol
LogP1.60
Rot. Bonds6

About trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium

trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium (PubChem CID 123855769) has the molecular formula C10H23N2+ and a molecular weight of 171.31 g/mol. Its IUPAC name is trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium.

Molecular Properties

Compound Nametrimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium
PubChem CID123855769
Molecular FormulaC10H23N2+
Molecular Weight171.31 g/mol
Exact Mass171.19
IUPAC Nametrimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium
SMILESC=C(C)NCCCC[N+](C)(C)C
InChIInChI=1S/C10H23N2/c1-10(2)11-8-6-7-9-12(3,4)5/h11H,1,6-9H2,2-5H3/q+1
InChIKeyFLSNPTPVZRVLPP-UHFFFAOYSA-N
XLogP1.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium?
The IUPAC name of trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium (CID 123855769) is trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium.
What is the SMILES notation for trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium?
The canonical SMILES for trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium is C=C(C)NCCCC[N+](C)(C)C.
What is the InChIKey of trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium?
The InChIKey is FLSNPTPVZRVLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N2/c1-10(2)11-8-6-7-9-12(3,4)5/h11H,1,6-9H2,2-5H3/q+1.
What are the key properties of trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium?
trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium has a molecular weight of 171.31 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-(prop-1-en-2-ylamino)butyl]azanium is sourced from PubChem (CID 123855769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).