(1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine

C8H15N3 — CID 178154697

IUPAC(1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine
SMILES[H]/N=C1\C[C@@H](C)CN\C1=C(/C)N
InChIInChI=1S/C8H15N3/c1-5-3-7(10)8(6(2)9)11-4-5/h5,10-11H,3-4,9H2,1-2H3/b8-6+,10-7+/t5-/m1/s1
InChIKeyMXENUWQDNOJMGY-ZCOCCJRKSA-N
MW153.23 g/mol
LogP0.83
Rot. Bonds

About (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine

(1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine (PubChem CID 178154697) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine.

Molecular Properties

Compound Name(1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine
PubChem CID178154697
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name(1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine
SMILES[H]/N=C1\C[C@@H](C)CN\C1=C(/C)N
InChIInChI=1S/C8H15N3/c1-5-3-7(10)8(6(2)9)11-4-5/h5,10-11H,3-4,9H2,1-2H3/b8-6+,10-7+/t5-/m1/s1
InChIKeyMXENUWQDNOJMGY-ZCOCCJRKSA-N
XLogP0.83
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.83
H-Bond Donors ≤ 53
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 (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine?
The IUPAC name of (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine (CID 178154697) is (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine.
What is the SMILES notation for (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine?
The canonical SMILES for (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine is [H]/N=C1\C[C@@H](C)CN\C1=C(/C)N.
What is the InChIKey of (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine?
The InChIKey is MXENUWQDNOJMGY-ZCOCCJRKSA-N. The full InChI is InChI=1S/C8H15N3/c1-5-3-7(10)8(6(2)9)11-4-5/h5,10-11H,3-4,9H2,1-2H3/b8-6+,10-7+/t5-/m1/s1.
What are the key properties of (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine?
(1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine has a molecular weight of 153.23 g/mol, XLogP of 0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(5R)-3-imino-5-methylpiperidin-2-ylidene]ethanamine is sourced from PubChem (CID 178154697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).