3-aminopropyl-dimethyl-propanimidoylazanium

C8H20N3+ — CID 90931989

IUPAC3-aminopropyl-dimethyl-propanimidoylazanium
SMILES[H]/N=C(\CC)[N+](C)(C)CCCN
InChIInChI=1S/C8H20N3/c1-4-8(10)11(2,3)7-5-6-9/h10H,4-7,9H2,1-3H3/q+1/b10-8+
InChIKeyOMLBOFZIXKGJKA-CSKARUKUSA-N
MW158.27 g/mol
LogP0.80
Rot. Bonds4

About 3-aminopropyl-dimethyl-propanimidoylazanium

3-aminopropyl-dimethyl-propanimidoylazanium (PubChem CID 90931989) has the molecular formula C8H20N3+ and a molecular weight of 158.27 g/mol. Its IUPAC name is 3-aminopropyl-dimethyl-propanimidoylazanium.

Molecular Properties

Compound Name3-aminopropyl-dimethyl-propanimidoylazanium
PubChem CID90931989
Molecular FormulaC8H20N3+
Molecular Weight158.27 g/mol
Exact Mass158.17
IUPAC Name3-aminopropyl-dimethyl-propanimidoylazanium
SMILES[H]/N=C(\CC)[N+](C)(C)CCCN
InChIInChI=1S/C8H20N3/c1-4-8(10)11(2,3)7-5-6-9/h10H,4-7,9H2,1-3H3/q+1/b10-8+
InChIKeyOMLBOFZIXKGJKA-CSKARUKUSA-N
XLogP0.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl-dimethyl-propanimidoylazanium?
The IUPAC name of 3-aminopropyl-dimethyl-propanimidoylazanium (CID 90931989) is 3-aminopropyl-dimethyl-propanimidoylazanium.
What is the SMILES notation for 3-aminopropyl-dimethyl-propanimidoylazanium?
The canonical SMILES for 3-aminopropyl-dimethyl-propanimidoylazanium is [H]/N=C(\CC)[N+](C)(C)CCCN.
What is the InChIKey of 3-aminopropyl-dimethyl-propanimidoylazanium?
The InChIKey is OMLBOFZIXKGJKA-CSKARUKUSA-N. The full InChI is InChI=1S/C8H20N3/c1-4-8(10)11(2,3)7-5-6-9/h10H,4-7,9H2,1-3H3/q+1/b10-8+.
What are the key properties of 3-aminopropyl-dimethyl-propanimidoylazanium?
3-aminopropyl-dimethyl-propanimidoylazanium has a molecular weight of 158.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl-dimethyl-propanimidoylazanium is sourced from PubChem (CID 90931989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).