3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine

C19H37NO — CID 177203758

IUPAC3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine
SMILESC=C(NCCOC(C)C)C(C)(C)CC(C)(C)C(=C)C(C)C
InChIInChI=1S/C19H37NO/c1-14(2)16(5)18(7,8)13-19(9,10)17(6)20-11-12-21-15(3)4/h14-15,20H,5-6,11-13H2,1-4,7-10H3
InChIKeyVILGCHXDRNMEBY-UHFFFAOYSA-N
MW295.51 g/mol
LogP5.17
Rot. Bonds10

About 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine

3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine (PubChem CID 177203758) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine.

Molecular Properties

Compound Name3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine
PubChem CID177203758
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine
SMILESC=C(NCCOC(C)C)C(C)(C)CC(C)(C)C(=C)C(C)C
InChIInChI=1S/C19H37NO/c1-14(2)16(5)18(7,8)13-19(9,10)17(6)20-11-12-21-15(3)4/h14-15,20H,5-6,11-13H2,1-4,7-10H3
InChIKeyVILGCHXDRNMEBY-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine?
The IUPAC name of 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine (CID 177203758) is 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine.
What is the SMILES notation for 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine?
The canonical SMILES for 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine is C=C(NCCOC(C)C)C(C)(C)CC(C)(C)C(=C)C(C)C.
What is the InChIKey of 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine?
The InChIKey is VILGCHXDRNMEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-14(2)16(5)18(7,8)13-19(9,10)17(6)20-11-12-21-15(3)4/h14-15,20H,5-6,11-13H2,1-4,7-10H3.
What are the key properties of 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine?
3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine has a molecular weight of 295.51 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,7-pentamethyl-6-methylidene-N-(2-propan-2-yloxyethyl)oct-1-en-2-amine is sourced from PubChem (CID 177203758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).