5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine

C20H41N — CID 90878934

IUPAC5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
SMILESC=C(CCC(CC)C(CC(C)C)NC(C)C)C(C)C(C)C
InChIInChI=1S/C20H41N/c1-10-19(12-11-17(8)18(9)15(4)5)20(13-14(2)3)21-16(6)7/h14-16,18-21H,8,10-13H2,1-7,9H3
InChIKeyBPHYAPQTDMIKDV-UHFFFAOYSA-N
MW295.56 g/mol
LogP6.05
Rot. Bonds11

About 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine

5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine (PubChem CID 90878934) has the molecular formula C20H41N and a molecular weight of 295.56 g/mol. Its IUPAC name is 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine.

Molecular Properties

Compound Name5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
PubChem CID90878934
Molecular FormulaC20H41N
Molecular Weight295.56 g/mol
Exact Mass295.32
IUPAC Name5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine
SMILESC=C(CCC(CC)C(CC(C)C)NC(C)C)C(C)C(C)C
InChIInChI=1S/C20H41N/c1-10-19(12-11-17(8)18(9)15(4)5)20(13-14(2)3)21-16(6)7/h14-16,18-21H,8,10-13H2,1-7,9H3
InChIKeyBPHYAPQTDMIKDV-UHFFFAOYSA-N
XLogP6.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.05
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 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
The IUPAC name of 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine (CID 90878934) is 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine.
What is the SMILES notation for 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
The canonical SMILES for 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine is C=C(CCC(CC)C(CC(C)C)NC(C)C)C(C)C(C)C.
What is the InChIKey of 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
The InChIKey is BPHYAPQTDMIKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N/c1-10-19(12-11-17(8)18(9)15(4)5)20(13-14(2)3)21-16(6)7/h14-16,18-21H,8,10-13H2,1-7,9H3.
What are the key properties of 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine?
5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine has a molecular weight of 295.56 g/mol, XLogP of 6.05, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,9,10-trimethyl-8-methylidene-N-propan-2-ylundecan-4-amine is sourced from PubChem (CID 90878934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).