(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine

C15H26N2 — CID 177223308

IUPAC(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C(=C/CC)N1CCCCC1)NC
InChIInChI=1S/C15H26N2/c1-4-9-15(11-10-14(5-2)16-3)17-12-7-6-8-13-17/h5,9-11,16H,4,6-8,12-13H2,1-3H3/b11-10-,14-5+,15-9-
InChIKeyBVVXEAKMHSWIQR-UXDLSDRHSA-N
MW234.39 g/mol
LogP3.45
Rot. Bonds5

About (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine

(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine (PubChem CID 177223308) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine.

Molecular Properties

Compound Name(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine
PubChem CID177223308
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine
SMILESC/C=C(\C=C/C(=C/CC)N1CCCCC1)NC
InChIInChI=1S/C15H26N2/c1-4-9-15(11-10-14(5-2)16-3)17-12-7-6-8-13-17/h5,9-11,16H,4,6-8,12-13H2,1-3H3/b11-10-,14-5+,15-9-
InChIKeyBVVXEAKMHSWIQR-UXDLSDRHSA-N
XLogP3.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine with MolForge

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Related Compounds

1-[(3E,5E)-6-methylnona-3,5-dien-4-yl]pyrrolidine
CID 5373916
1-hept-3-en-4-ylpyrrolidine
CID 68591319
(Z)-2-chloro-1-pyrrolidin-1-ylpent-2-en-1-one
CID 101023256
2-piperidin-1-ylhex-2-enal
CID 74024163
ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine
CID 143436314
(Z)-2-(methylamino)pent-2-enal
CID 144647822
(Z,Z)-2-ethyl-N-[(E)-1-piperidin-1-ylbut-1-enyl]but-2-en-1-imine
CID 144598444
butane;(E)-1-piperidin-1-ylbut-2-en-1-one
CID 142213243
(2E,4Z)-N-methylhepta-2,4,6-trien-3-amine;propane
CID 144790327
1-piperidin-1-ylethanone;propanal
CID 178173122
(2Z,4E)-4-(azetidin-1-yl)hepta-2,4-dien-6-yn-1-ol
CID 143340474
N-(2-cyclohexylcyclopropyl)-N'-ethylpyrrolidine-1-carboximidamide
CID 111770684

Frequently Asked Questions

What is the IUPAC name of (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine?
The IUPAC name of (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine (CID 177223308) is (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine.
What is the SMILES notation for (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine?
The canonical SMILES for (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine is C/C=C(\C=C/C(=C/CC)N1CCCCC1)NC.
What is the InChIKey of (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine?
The InChIKey is BVVXEAKMHSWIQR-UXDLSDRHSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-9-15(11-10-14(5-2)16-3)17-12-7-6-8-13-17/h5,9-11,16H,4,6-8,12-13H2,1-3H3/b11-10-,14-5+,15-9-.
What are the key properties of (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine?
(2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine has a molecular weight of 234.39 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z,6Z)-N-methyl-6-piperidin-1-ylnona-2,4,6-trien-3-amine is sourced from PubChem (CID 177223308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).