(E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine

C16H31N — CID 134567470

IUPAC(E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine
SMILESCC/C=C(\CCC(C)CC)C/C(C)=C(\C)NC
InChIInChI=1S/C16H31N/c1-7-9-16(11-10-13(3)8-2)12-14(4)15(5)17-6/h9,13,17H,7-8,10-12H2,1-6H3/b15-14+,16-9+
InChIKeyOOEUOBAZMRGRHY-JWTAZNJOSA-N
MW237.43 g/mol
LogP5.05
Rot. Bonds8

About (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine

(E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine (PubChem CID 134567470) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine.

Molecular Properties

Compound Name(E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine
PubChem CID134567470
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name(E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine
SMILESCC/C=C(\CCC(C)CC)C/C(C)=C(\C)NC
InChIInChI=1S/C16H31N/c1-7-9-16(11-10-13(3)8-2)12-14(4)15(5)17-6/h9,13,17H,7-8,10-12H2,1-6H3/b15-14+,16-9+
InChIKeyOOEUOBAZMRGRHY-JWTAZNJOSA-N
XLogP5.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine?
The IUPAC name of (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine (CID 134567470) is (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine.
What is the SMILES notation for (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine?
The canonical SMILES for (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine is CC/C=C(\CCC(C)CC)C/C(C)=C(\C)NC.
What is the InChIKey of (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine?
The InChIKey is OOEUOBAZMRGRHY-JWTAZNJOSA-N. The full InChI is InChI=1S/C16H31N/c1-7-9-16(11-10-13(3)8-2)12-14(4)15(5)17-6/h9,13,17H,7-8,10-12H2,1-6H3/b15-14+,16-9+.
What are the key properties of (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine?
(E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine has a molecular weight of 237.43 g/mol, XLogP of 5.05, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,5E)-N,3,8-trimethyl-5-propylidenedec-2-en-2-amine is sourced from PubChem (CID 134567470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).