1-(1-carbamimidoylpiperidin-4-yl)ethylazanide

C8H17N4- — CID 21018789

IUPAC1-(1-carbamimidoylpiperidin-4-yl)ethylazanide
SMILES[H]/N=C(\N)N1CCC(C(C)[NH-])CC1
InChIInChI=1S/C8H17N4/c1-6(9)7-2-4-12(5-3-7)8(10)11/h6-7,9H,2-5H2,1H3,(H3,10,11)/q-1
InChIKeyFURJHHLIHSBILN-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.03
Rot. Bonds1

About 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide

1-(1-carbamimidoylpiperidin-4-yl)ethylazanide (PubChem CID 21018789) has the molecular formula C8H17N4- and a molecular weight of 169.25 g/mol. Its IUPAC name is 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide.

Molecular Properties

Compound Name1-(1-carbamimidoylpiperidin-4-yl)ethylazanide
PubChem CID21018789
Molecular FormulaC8H17N4-
Molecular Weight169.25 g/mol
Exact Mass169.15
IUPAC Name1-(1-carbamimidoylpiperidin-4-yl)ethylazanide
SMILES[H]/N=C(\N)N1CCC(C(C)[NH-])CC1
InChIInChI=1S/C8H17N4/c1-6(9)7-2-4-12(5-3-7)8(10)11/h6-7,9H,2-5H2,1H3,(H3,10,11)/q-1
InChIKeyFURJHHLIHSBILN-UHFFFAOYSA-N
XLogP1.03
TPSA76.91 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide?
The IUPAC name of 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide (CID 21018789) is 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide.
What is the SMILES notation for 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide?
The canonical SMILES for 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide is [H]/N=C(\N)N1CCC(C(C)[NH-])CC1.
What is the InChIKey of 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide?
The InChIKey is FURJHHLIHSBILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N4/c1-6(9)7-2-4-12(5-3-7)8(10)11/h6-7,9H,2-5H2,1H3,(H3,10,11)/q-1.
What are the key properties of 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide?
1-(1-carbamimidoylpiperidin-4-yl)ethylazanide has a molecular weight of 169.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamimidoylpiperidin-4-yl)ethylazanide is sourced from PubChem (CID 21018789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).