(1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine

C7H13N3 — CID 148841640

IUPAC(1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine
SMILES[H]/N=C1\CNCC\C1=C(/C)N
InChIInChI=1S/C7H13N3/c1-5(8)6-2-3-10-4-7(6)9/h9-10H,2-4,8H2,1H3/b6-5-,9-7+
InChIKeyOVQUDAHTNDGNOQ-BZWSEGBZSA-N
MW139.20 g/mol
LogP0.23
Rot. Bonds

About (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine

(1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine (PubChem CID 148841640) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine.

Molecular Properties

Compound Name(1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine
PubChem CID148841640
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine
SMILES[H]/N=C1\CNCC\C1=C(/C)N
InChIInChI=1S/C7H13N3/c1-5(8)6-2-3-10-4-7(6)9/h9-10H,2-4,8H2,1H3/b6-5-,9-7+
InChIKeyOVQUDAHTNDGNOQ-BZWSEGBZSA-N
XLogP0.23
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.23
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 (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine?
The IUPAC name of (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine (CID 148841640) is (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine.
What is the SMILES notation for (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine?
The canonical SMILES for (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine is [H]/N=C1\CNCC\C1=C(/C)N.
What is the InChIKey of (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine?
The InChIKey is OVQUDAHTNDGNOQ-BZWSEGBZSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(8)6-2-3-10-4-7(6)9/h9-10H,2-4,8H2,1H3/b6-5-,9-7+.
What are the key properties of (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine?
(1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.23, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3-iminopiperidin-4-ylidene)ethanamine is sourced from PubChem (CID 148841640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).