(3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine

C16H32N2S — CID 130458823

IUPAC(3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine
SMILESC/C=C(\C=C/CCN(C)CC(C)SCNCC)CC
InChIInChI=1S/C16H32N2S/c1-6-16(7-2)11-9-10-12-18(5)13-15(4)19-14-17-8-3/h6,9,11,15,17H,7-8,10,12-14H2,1-5H3/b11-9-,16-6-
InChIKeyVMJSZJZKLYDHKM-SIHNCKKUSA-N
MW284.51 g/mol
LogP3.91
Rot. Bonds11

About (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine

(3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine (PubChem CID 130458823) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine
PubChem CID130458823
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name(3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine
SMILESC/C=C(\C=C/CCN(C)CC(C)SCNCC)CC
InChIInChI=1S/C16H32N2S/c1-6-16(7-2)11-9-10-12-18(5)13-15(4)19-14-17-8-3/h6,9,11,15,17H,7-8,10,12-14H2,1-5H3/b11-9-,16-6-
InChIKeyVMJSZJZKLYDHKM-SIHNCKKUSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine (CID 130458823) is (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine is C/C=C(\C=C/CCN(C)CC(C)SCNCC)CC.
What is the InChIKey of (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine?
The InChIKey is VMJSZJZKLYDHKM-SIHNCKKUSA-N. The full InChI is InChI=1S/C16H32N2S/c1-6-16(7-2)11-9-10-12-18(5)13-15(4)19-14-17-8-3/h6,9,11,15,17H,7-8,10,12-14H2,1-5H3/b11-9-,16-6-.
What are the key properties of (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine?
(3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine has a molecular weight of 284.51 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-ethyl-N-[2-(ethylaminomethylsulfanyl)propyl]-N-methylhepta-3,5-dien-1-amine is sourced from PubChem (CID 130458823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).