6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine

C25H51N — CID 123444900

IUPAC6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine
SMILESC=CCCC(NC(C)C(C)C)C(C)CCCC(CCC)C(C)C(C)CC
InChIInChI=1S/C25H51N/c1-10-13-18-25(26-23(9)19(4)5)21(7)16-14-17-24(15-11-2)22(8)20(6)12-3/h10,19-26H,1,11-18H2,2-9H3
InChIKeyWJSGPRXIZPBWEU-UHFFFAOYSA-N
MW365.69 g/mol
LogP7.86
Rot. Bonds16

About 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine

6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine (PubChem CID 123444900) has the molecular formula C25H51N and a molecular weight of 365.69 g/mol. Its IUPAC name is 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine.

Molecular Properties

Compound Name6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine
PubChem CID123444900
Molecular FormulaC25H51N
Molecular Weight365.69 g/mol
Exact Mass365.40
IUPAC Name6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine
SMILESC=CCCC(NC(C)C(C)C)C(C)CCCC(CCC)C(C)C(C)CC
InChIInChI=1S/C25H51N/c1-10-13-18-25(26-23(9)19(4)5)21(7)16-14-17-24(15-11-2)22(8)20(6)12-3/h10,19-26H,1,11-18H2,2-9H3
InChIKeyWJSGPRXIZPBWEU-UHFFFAOYSA-N
XLogP7.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.69
LogP ≤ 57.86
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 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine?
The IUPAC name of 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine (CID 123444900) is 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine.
What is the SMILES notation for 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine?
The canonical SMILES for 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine is C=CCCC(NC(C)C(C)C)C(C)CCCC(CCC)C(C)C(C)CC.
What is the InChIKey of 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine?
The InChIKey is WJSGPRXIZPBWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H51N/c1-10-13-18-25(26-23(9)19(4)5)21(7)16-14-17-24(15-11-2)22(8)20(6)12-3/h10,19-26H,1,11-18H2,2-9H3.
What are the key properties of 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine?
6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine has a molecular weight of 365.69 g/mol, XLogP of 7.86, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11,12-trimethyl-N-(3-methylbutan-2-yl)-10-propyltetradec-1-en-5-amine is sourced from PubChem (CID 123444900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).