1-[(1-methylpiperidin-2-ylidene)amino]ethanamine

C8H17N3 — CID 174062395

IUPAC1-[(1-methylpiperidin-2-ylidene)amino]ethanamine
SMILESCC(N)N=C1CCCCN1C
InChIInChI=1S/C8H17N3/c1-7(9)10-8-5-3-4-6-11(8)2/h7H,3-6,9H2,1-2H3
InChIKeyOOCTZXRKKJFCRZ-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.81
Rot. Bonds1

About 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine

1-[(1-methylpiperidin-2-ylidene)amino]ethanamine (PubChem CID 174062395) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-2-ylidene)amino]ethanamine
PubChem CID174062395
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name1-[(1-methylpiperidin-2-ylidene)amino]ethanamine
SMILESCC(N)N=C1CCCCN1C
InChIInChI=1S/C8H17N3/c1-7(9)10-8-5-3-4-6-11(8)2/h7H,3-6,9H2,1-2H3
InChIKeyOOCTZXRKKJFCRZ-UHFFFAOYSA-N
XLogP0.81
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine?
The IUPAC name of 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine (CID 174062395) is 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine.
What is the SMILES notation for 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine?
The canonical SMILES for 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine is CC(N)N=C1CCCCN1C.
What is the InChIKey of 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine?
The InChIKey is OOCTZXRKKJFCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-7(9)10-8-5-3-4-6-11(8)2/h7H,3-6,9H2,1-2H3.
What are the key properties of 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine?
1-[(1-methylpiperidin-2-ylidene)amino]ethanamine has a molecular weight of 155.25 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-2-ylidene)amino]ethanamine is sourced from PubChem (CID 174062395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).