(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine

C14H24N2 — CID 142124667

IUPAC(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C)NCC1CCCN(CC)C1
InChIInChI=1S/C14H24N2/c1-4-8-14(5-2)15-11-13-9-7-10-16(6-3)12-13/h4-5,8,13,15H,1-2,6-7,9-12H2,3H3/b14-8+
InChIKeyHJXSOFWYSFGRGS-RIYZIHGNSA-N
MW220.36 g/mol
LogP2.56
Rot. Bonds6

About (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine

(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine (PubChem CID 142124667) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine
PubChem CID142124667
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine
SMILESC=C/C=C(\C=C)NCC1CCCN(CC)C1
InChIInChI=1S/C14H24N2/c1-4-8-14(5-2)15-11-13-9-7-10-16(6-3)12-13/h4-5,8,13,15H,1-2,6-7,9-12H2,3H3/b14-8+
InChIKeyHJXSOFWYSFGRGS-RIYZIHGNSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.56
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 (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine (CID 142124667) is (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine is C=C/C=C(\C=C)NCC1CCCN(CC)C1.
What is the InChIKey of (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine?
The InChIKey is HJXSOFWYSFGRGS-RIYZIHGNSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-8-14(5-2)15-11-13-9-7-10-16(6-3)12-13/h4-5,8,13,15H,1-2,6-7,9-12H2,3H3/b14-8+.
What are the key properties of (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine?
(3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[(1-ethylpiperidin-3-yl)methyl]hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 142124667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).