(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine

C15H26N2 — CID 167069355

IUPAC(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C/C=C(\N)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/h4-8,13-14H,9-12,16H2,1-3H3/b5-4-,7-6-,15-8+
InChIKeyDHVOFOBSLIWNEI-MOUIEDEMSA-N
MW234.39 g/mol
LogP3.29
Rot. Bonds4

About (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine (PubChem CID 167069355) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine
PubChem CID167069355
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine
SMILESC/C=C\C=C/C=C(\N)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/h4-8,13-14H,9-12,16H2,1-3H3/b5-4-,7-6-,15-8+
InChIKeyDHVOFOBSLIWNEI-MOUIEDEMSA-N
XLogP3.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine (CID 167069355) is (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine is C/C=C\C=C/C=C(\N)N1CCC(C(C)C)CC1.
What is the InChIKey of (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine?
The InChIKey is DHVOFOBSLIWNEI-MOUIEDEMSA-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/h4-8,13-14H,9-12,16H2,1-3H3/b5-4-,7-6-,15-8+.
What are the key properties of (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-(4-propan-2-ylpiperidin-1-yl)hepta-1,3,5-trien-1-amine is sourced from PubChem (CID 167069355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).