(3-ethyliminopiperidin-4-ylidene)methanamine

C8H15N3 — CID 174096877

IUPAC(3-ethyliminopiperidin-4-ylidene)methanamine
SMILESCC/N=C1\CNCCC1=CN
InChIInChI=1S/C8H15N3/c1-2-11-8-6-10-4-3-7(8)5-9/h5,10H,2-4,6,9H2,1H3/b7-5?,11-8+
InChIKeyBUVWDYYIUQWNJW-IVBHRAGMSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds1

About (3-ethyliminopiperidin-4-ylidene)methanamine

(3-ethyliminopiperidin-4-ylidene)methanamine (PubChem CID 174096877) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (3-ethyliminopiperidin-4-ylidene)methanamine.

Molecular Properties

Compound Name(3-ethyliminopiperidin-4-ylidene)methanamine
PubChem CID174096877
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(3-ethyliminopiperidin-4-ylidene)methanamine
SMILESCC/N=C1\CNCCC1=CN
InChIInChI=1S/C8H15N3/c1-2-11-8-6-10-4-3-7(8)5-9/h5,10H,2-4,6,9H2,1H3/b7-5?,11-8+
InChIKeyBUVWDYYIUQWNJW-IVBHRAGMSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 (3-ethyliminopiperidin-4-ylidene)methanamine?
The IUPAC name of (3-ethyliminopiperidin-4-ylidene)methanamine (CID 174096877) is (3-ethyliminopiperidin-4-ylidene)methanamine.
What is the SMILES notation for (3-ethyliminopiperidin-4-ylidene)methanamine?
The canonical SMILES for (3-ethyliminopiperidin-4-ylidene)methanamine is CC/N=C1\CNCCC1=CN.
What is the InChIKey of (3-ethyliminopiperidin-4-ylidene)methanamine?
The InChIKey is BUVWDYYIUQWNJW-IVBHRAGMSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-11-8-6-10-4-3-7(8)5-9/h5,10H,2-4,6,9H2,1H3/b7-5?,11-8+.
What are the key properties of (3-ethyliminopiperidin-4-ylidene)methanamine?
(3-ethyliminopiperidin-4-ylidene)methanamine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyliminopiperidin-4-ylidene)methanamine is sourced from PubChem (CID 174096877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).