(2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine

C15H26N2 — CID 166900860

IUPAC(2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C\CC)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H26N2/c1-4-5-6-7-8-15(16)17-11-9-14(10-12-17)13(2)3/h5-8,13-14,16H,4,9-12H2,1-3H3/b6-5-,8-7-,16-15+
InChIKeyFKVACKRIUQYTRW-HNWJKPNRSA-N
MW234.39 g/mol
LogP3.85
Rot. Bonds4

About (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine

(2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine (PubChem CID 166900860) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine
PubChem CID166900860
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine
SMILES[H]/N=C(\C=C/C=C\CC)N1CCC(C(C)C)CC1
InChIInChI=1S/C15H26N2/c1-4-5-6-7-8-15(16)17-11-9-14(10-12-17)13(2)3/h5-8,13-14,16H,4,9-12H2,1-3H3/b6-5-,8-7-,16-15+
InChIKeyFKVACKRIUQYTRW-HNWJKPNRSA-N
XLogP3.85
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine?
The IUPAC name of (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine (CID 166900860) is (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine is [H]/N=C(\C=C/C=C\CC)N1CCC(C(C)C)CC1.
What is the InChIKey of (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine?
The InChIKey is FKVACKRIUQYTRW-HNWJKPNRSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-5-6-7-8-15(16)17-11-9-14(10-12-17)13(2)3/h5-8,13-14,16H,4,9-12H2,1-3H3/b6-5-,8-7-,16-15+.
What are the key properties of (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine?
(2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine has a molecular weight of 234.39 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-2,4-dien-1-imine is sourced from PubChem (CID 166900860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).