(Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine

C17H31N3 — CID 176986357

IUPAC(Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine
SMILESCCC1CCC(=N\C2CCN(C(C)C)CC2)/C(=C\N)C1
InChIInChI=1S/C17H31N3/c1-4-14-5-6-17(15(11-14)12-18)19-16-7-9-20(10-8-16)13(2)3/h12-14,16H,4-11,18H2,1-3H3/b15-12-,19-17+
InChIKeyDECMZOLQDQSBSO-AUEXQGOMSA-N
MW277.46 g/mol
LogP3.35
Rot. Bonds3

About (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine

(Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine (PubChem CID 176986357) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine.

Molecular Properties

Compound Name(Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine
PubChem CID176986357
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name(Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine
SMILESCCC1CCC(=N\C2CCN(C(C)C)CC2)/C(=C\N)C1
InChIInChI=1S/C17H31N3/c1-4-14-5-6-17(15(11-14)12-18)19-16-7-9-20(10-8-16)13(2)3/h12-14,16H,4-11,18H2,1-3H3/b15-12-,19-17+
InChIKeyDECMZOLQDQSBSO-AUEXQGOMSA-N
XLogP3.35
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.35
H-Bond Donors ≤ 51
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 (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine?
The IUPAC name of (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine (CID 176986357) is (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine.
What is the SMILES notation for (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine?
The canonical SMILES for (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine is CCC1CCC(=N\C2CCN(C(C)C)CC2)/C(=C\N)C1.
What is the InChIKey of (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine?
The InChIKey is DECMZOLQDQSBSO-AUEXQGOMSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-14-5-6-17(15(11-14)12-18)19-16-7-9-20(10-8-16)13(2)3/h12-14,16H,4-11,18H2,1-3H3/b15-12-,19-17+.
What are the key properties of (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine?
(Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine has a molecular weight of 277.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[5-ethyl-2-(1-propan-2-ylpiperidin-4-yl)iminocyclohexylidene]methanamine is sourced from PubChem (CID 176986357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).