6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine

C26H53N — CID 138564271

IUPAC6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine
SMILESC=CC(NC(C)CCCC)C(C)C(C(C)CCC)C(CC)CC(CC)CC
InChIInChI=1S/C26H53N/c1-10-16-18-21(8)27-25(15-6)22(9)26(20(7)17-11-2)24(14-5)19-23(12-3)13-4/h15,20-27H,6,10-14,16-19H2,1-5,7-9H3
InChIKeyYWNRECABTLPXLQ-UHFFFAOYSA-N
MW379.72 g/mol
LogP8.25
Rot. Bonds17

About 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine

6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine (PubChem CID 138564271) has the molecular formula C26H53N and a molecular weight of 379.72 g/mol. Its IUPAC name is 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine.

Molecular Properties

Compound Name6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine
PubChem CID138564271
Molecular FormulaC26H53N
Molecular Weight379.72 g/mol
Exact Mass379.42
IUPAC Name6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine
SMILESC=CC(NC(C)CCCC)C(C)C(C(C)CCC)C(CC)CC(CC)CC
InChIInChI=1S/C26H53N/c1-10-16-18-21(8)27-25(15-6)22(9)26(20(7)17-11-2)24(14-5)19-23(12-3)13-4/h15,20-27H,6,10-14,16-19H2,1-5,7-9H3
InChIKeyYWNRECABTLPXLQ-UHFFFAOYSA-N
XLogP8.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.72
LogP ≤ 58.25
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 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine?
The IUPAC name of 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine (CID 138564271) is 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine.
What is the SMILES notation for 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine?
The canonical SMILES for 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine is C=CC(NC(C)CCCC)C(C)C(C(C)CCC)C(CC)CC(CC)CC.
What is the InChIKey of 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine?
The InChIKey is YWNRECABTLPXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H53N/c1-10-16-18-21(8)27-25(15-6)22(9)26(20(7)17-11-2)24(14-5)19-23(12-3)13-4/h15,20-27H,6,10-14,16-19H2,1-5,7-9H3.
What are the key properties of 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine?
6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine has a molecular weight of 379.72 g/mol, XLogP of 8.25, 17 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diethyl-N-hexan-2-yl-4-methyl-5-pentan-2-yldec-1-en-3-amine is sourced from PubChem (CID 138564271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).