N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine

C17H30N2S — CID 143457350

IUPACN-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine
SMILESC=C/C(=C\C=C(/C)C(C)C)SN(CC)C1CCNCC1
InChIInChI=1S/C17H30N2S/c1-6-17(9-8-15(5)14(3)4)20-19(7-2)16-10-12-18-13-11-16/h6,8-9,14,16,18H,1,7,10-13H2,2-5H3/b15-8+,17-9+
InChIKeyNKBRUOHOYKZNQN-LNTWMMFKSA-N
MW294.51 g/mol
LogP4.38
Rot. Bonds7

About N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine

N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine (PubChem CID 143457350) has the molecular formula C17H30N2S and a molecular weight of 294.51 g/mol. Its IUPAC name is N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine
PubChem CID143457350
Molecular FormulaC17H30N2S
Molecular Weight294.51 g/mol
Exact Mass294.21
IUPAC NameN-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine
SMILESC=C/C(=C\C=C(/C)C(C)C)SN(CC)C1CCNCC1
InChIInChI=1S/C17H30N2S/c1-6-17(9-8-15(5)14(3)4)20-19(7-2)16-10-12-18-13-11-16/h6,8-9,14,16,18H,1,7,10-13H2,2-5H3/b15-8+,17-9+
InChIKeyNKBRUOHOYKZNQN-LNTWMMFKSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-N-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpiperidin-4-amine;ethane;dihydrate
CID 142909233
N-[2-[(2Z)-2-ethenylpenta-2,4-dienyl]oxiran-2-yl]-N-ethylpiperidin-4-amine
CID 142910607
N-ethyl-2-methyl-N-piperidin-4-ylpropanamide
CID 23369986
N-ethyl-N-piperidin-4-ylpent-4-enamide
CID 62679497
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
[ethyl(piperidin-4-yl)amino]methanol
CID 176656456
2-[methyl(pyrrolidin-3-yl)amino]propan-1-ol
CID 104556943
N,N-diethyl-1-piperidin-4-ylpropan-2-amine
CID 105451801
N,N-di(propan-2-yl)piperidin-4-amine
CID 54556274
2-ethoxy-N-methyl-N-piperidin-4-ylpropanamide
CID 119444012
3-[ethyl(piperidin-4-yl)amino]-2-methylpropanamide
CID 60806610
2-[azepan-4-yl(ethyl)amino]-N-propan-2-ylacetamide
CID 103983310

Frequently Asked Questions

What is the IUPAC name of N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine?
The IUPAC name of N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine (CID 143457350) is N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine?
The canonical SMILES for N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine is C=C/C(=C\C=C(/C)C(C)C)SN(CC)C1CCNCC1.
What is the InChIKey of N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine?
The InChIKey is NKBRUOHOYKZNQN-LNTWMMFKSA-N. The full InChI is InChI=1S/C17H30N2S/c1-6-17(9-8-15(5)14(3)4)20-19(7-2)16-10-12-18-13-11-16/h6,8-9,14,16,18H,1,7,10-13H2,2-5H3/b15-8+,17-9+.
What are the key properties of N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine?
N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine has a molecular weight of 294.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 143457350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).