(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine

C13H22N2 — CID 88905163

IUPAC(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCCCC1)\C(N)=C/C
InChIInChI=1S/C13H22N2/c1-3-8-12(13(14)4-2)11-15-9-6-5-7-10-15/h3-4,8H,1,5-7,9-11,14H2,2H3/b12-8-,13-4+
InChIKeyVLBKYCVUZQJJER-ZGTLABSISA-N
MW206.33 g/mol
LogP2.45
Rot. Bonds4

About (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine

(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine (PubChem CID 88905163) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine
PubChem CID88905163
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine
SMILESC=C/C=C(CN1CCCCC1)\C(N)=C/C
InChIInChI=1S/C13H22N2/c1-3-8-12(13(14)4-2)11-15-9-6-5-7-10-15/h3-4,8H,1,5-7,9-11,14H2,2H3/b12-8-,13-4+
InChIKeyVLBKYCVUZQJJER-ZGTLABSISA-N
XLogP2.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.45
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 (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine (CID 88905163) is (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine is C=C/C=C(CN1CCCCC1)\C(N)=C/C.
What is the InChIKey of (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine?
The InChIKey is VLBKYCVUZQJJER-ZGTLABSISA-N. The full InChI is InChI=1S/C13H22N2/c1-3-8-12(13(14)4-2)11-15-9-6-5-7-10-15/h3-4,8H,1,5-7,9-11,14H2,2H3/b12-8-,13-4+.
What are the key properties of (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine?
(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine has a molecular weight of 206.33 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine is sourced from PubChem (CID 88905163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).