(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine

C10H17N3 — CID 171523505

IUPAC(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
SMILES[H]/N=C(C)/C=C1/CN(CC)CC/C1=N\[H]
InChIInChI=1S/C10H17N3/c1-3-13-5-4-10(12)9(7-13)6-8(2)11/h6,11-12H,3-5,7H2,1-2H3/b9-6-,11-8+,12-10+
InChIKeyRAWOGHOTYHFOKS-CLPUCUGASA-N
MW179.27 g/mol
LogP1.70
Rot. Bonds2

About (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine

(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine (PubChem CID 171523505) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine.

Molecular Properties

Compound Name(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
PubChem CID171523505
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine
SMILES[H]/N=C(C)/C=C1/CN(CC)CC/C1=N\[H]
InChIInChI=1S/C10H17N3/c1-3-13-5-4-10(12)9(7-13)6-8(2)11/h6,11-12H,3-5,7H2,1-2H3/b9-6-,11-8+,12-10+
InChIKeyRAWOGHOTYHFOKS-CLPUCUGASA-N
XLogP1.70
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.70
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 (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
The IUPAC name of (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine (CID 171523505) is (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine.
What is the SMILES notation for (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
The canonical SMILES for (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine is [H]/N=C(C)/C=C1/CN(CC)CC/C1=N\[H].
What is the InChIKey of (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
The InChIKey is RAWOGHOTYHFOKS-CLPUCUGASA-N. The full InChI is InChI=1S/C10H17N3/c1-3-13-5-4-10(12)9(7-13)6-8(2)11/h6,11-12H,3-5,7H2,1-2H3/b9-6-,11-8+,12-10+.
What are the key properties of (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine?
(3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine has a molecular weight of 179.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-ethyl-3-(2-iminopropylidene)piperidin-4-imine is sourced from PubChem (CID 171523505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).