(2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine

C16H30N2 — CID 155218170

IUPAC(2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine
SMILESC/C=C/C=C(\CNCCC)N1CCC(CC)CC1
InChIInChI=1S/C16H30N2/c1-4-7-8-16(14-17-11-5-2)18-12-9-15(6-3)10-13-18/h4,7-8,15,17H,5-6,9-14H2,1-3H3/b7-4+,16-8+
InChIKeyHNZDMZDSSGOQDD-LHQXNBGVSA-N
MW250.43 g/mol
LogP3.57
Rot. Bonds7

About (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine

(2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine (PubChem CID 155218170) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine
PubChem CID155218170
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name(2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine
SMILESC/C=C/C=C(\CNCCC)N1CCC(CC)CC1
InChIInChI=1S/C16H30N2/c1-4-7-8-16(14-17-11-5-2)18-12-9-15(6-3)10-13-18/h4,7-8,15,17H,5-6,9-14H2,1-3H3/b7-4+,16-8+
InChIKeyHNZDMZDSSGOQDD-LHQXNBGVSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine?
The IUPAC name of (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine (CID 155218170) is (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine.
What is the SMILES notation for (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine?
The canonical SMILES for (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine is C/C=C/C=C(\CNCCC)N1CCC(CC)CC1.
What is the InChIKey of (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine?
The InChIKey is HNZDMZDSSGOQDD-LHQXNBGVSA-N. The full InChI is InChI=1S/C16H30N2/c1-4-7-8-16(14-17-11-5-2)18-12-9-15(6-3)10-13-18/h4,7-8,15,17H,5-6,9-14H2,1-3H3/b7-4+,16-8+.
What are the key properties of (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine?
(2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-(4-ethylpiperidin-1-yl)-N-propylhexa-2,4-dien-1-amine is sourced from PubChem (CID 155218170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).