1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine

C13H24N2S — CID 142457781

IUPAC1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine
SMILESC/C=C\C(=C/CC)SN1CCC(NC)CC1
InChIInChI=1S/C13H24N2S/c1-4-6-13(7-5-2)16-15-10-8-12(14-3)9-11-15/h4,6-7,12,14H,5,8-11H2,1-3H3/b6-4-,13-7+
InChIKeyWNSGHAROWMVBEC-FMEHWCPISA-N
MW240.42 g/mol
LogP3.19
Rot. Bonds5

About 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine

1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine (PubChem CID 142457781) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine
PubChem CID142457781
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine
SMILESC/C=C\C(=C/CC)SN1CCC(NC)CC1
InChIInChI=1S/C13H24N2S/c1-4-6-13(7-5-2)16-15-10-8-12(14-3)9-11-15/h4,6-7,12,14H,5,8-11H2,1-3H3/b6-4-,13-7+
InChIKeyWNSGHAROWMVBEC-FMEHWCPISA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.19
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'}

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Related Compounds

N-[2-(2-methylcyclohexa-1,5-dien-1-yl)ethyl]piperidin-4-amine
CID 71154187
1-methyl-N-[(Z)-pent-3-enyl]piperidin-4-amine
CID 89271198
N-cyclohexa-2,4-dien-1-yl-1-methylpiperidin-4-amine
CID 141854451
N-methyl-1-[(3Z)-2-methylocta-3,5-dienyl]piperidin-4-amine
CID 142112871
N-ethyl-1-[(3E,5Z)-3-methylocta-3,5,7-trienyl]piperidin-4-amine
CID 142256444
N-methyl-1-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]piperidin-4-amine
CID 142457550
(3E,5Z)-8-[2-methylpropyl(piperidin-4-yl)amino]octa-1,3,5-triene-4-thiol
CID 142906918
N-cyclopropyl-N-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpiperidin-4-amine
CID 142909186
N-cyclopropyl-N-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylpiperidin-4-amine;ethane
CID 142909529
ethane;1-[(3Z,5Z)-hepta-3,5-dienyl]-N-methylpiperidin-4-amine;methanamine
CID 142961076
N-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfanyl-N-ethylpiperidin-4-amine
CID 143457350
N-methyl-N-[(3Z)-2-methylidenehexa-3,5-dienyl]piperidin-4-amine
CID 143814459

Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine (CID 142457781) is 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine is C/C=C\C(=C/CC)SN1CCC(NC)CC1.
What is the InChIKey of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine?
The InChIKey is WNSGHAROWMVBEC-FMEHWCPISA-N. The full InChI is InChI=1S/C13H24N2S/c1-4-6-13(7-5-2)16-15-10-8-12(14-3)9-11-15/h4,6-7,12,14H,5,8-11H2,1-3H3/b6-4-,13-7+.
What are the key properties of 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine?
1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine has a molecular weight of 240.42 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E)-hepta-2,4-dien-4-yl]sulfanyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 142457781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).