2-imino-2-piperidin-1-ylethanamine

C7H15N3 — CID 90945345

IUPAC2-imino-2-piperidin-1-ylethanamine
SMILES[H]/N=C(\CN)N1CCCCC1
InChIInChI=1S/C7H15N3/c8-6-7(9)10-4-2-1-3-5-10/h9H,1-6,8H2/b9-7+
InChIKeyQKGHRFNFBZIHRZ-VQHVLOKHSA-N
MW141.22 g/mol
LogP0.41
Rot. Bonds1

About 2-imino-2-piperidin-1-ylethanamine

2-imino-2-piperidin-1-ylethanamine (PubChem CID 90945345) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-imino-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-imino-2-piperidin-1-ylethanamine
PubChem CID90945345
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-imino-2-piperidin-1-ylethanamine
SMILES[H]/N=C(\CN)N1CCCCC1
InChIInChI=1S/C7H15N3/c8-6-7(9)10-4-2-1-3-5-10/h9H,1-6,8H2/b9-7+
InChIKeyQKGHRFNFBZIHRZ-VQHVLOKHSA-N
XLogP0.41
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.41
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-piperidin-1-ylethanamine?
The IUPAC name of 2-imino-2-piperidin-1-ylethanamine (CID 90945345) is 2-imino-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-imino-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-imino-2-piperidin-1-ylethanamine is [H]/N=C(\CN)N1CCCCC1.
What is the InChIKey of 2-imino-2-piperidin-1-ylethanamine?
The InChIKey is QKGHRFNFBZIHRZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H15N3/c8-6-7(9)10-4-2-1-3-5-10/h9H,1-6,8H2/b9-7+.
What are the key properties of 2-imino-2-piperidin-1-ylethanamine?
2-imino-2-piperidin-1-ylethanamine has a molecular weight of 141.22 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-piperidin-1-ylethanamine is sourced from PubChem (CID 90945345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).