5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine

C16H33NO — CID 139356793

IUPAC5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine
SMILESC=CCCCNCC(C)(C)CC(C)(C)C(C)OC
InChIInChI=1S/C16H33NO/c1-8-9-10-11-17-13-15(3,4)12-16(5,6)14(2)18-7/h8,14,17H,1,9-13H2,2-7H3
InChIKeyYEIVHNJZUSBIQB-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.02
Rot. Bonds10

About 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine

5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine (PubChem CID 139356793) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine.

Molecular Properties

Compound Name5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine
PubChem CID139356793
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine
SMILESC=CCCCNCC(C)(C)CC(C)(C)C(C)OC
InChIInChI=1S/C16H33NO/c1-8-9-10-11-17-13-15(3,4)12-16(5,6)14(2)18-7/h8,14,17H,1,9-13H2,2-7H3
InChIKeyYEIVHNJZUSBIQB-UHFFFAOYSA-N
XLogP4.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.02
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 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine?
The IUPAC name of 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine (CID 139356793) is 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine.
What is the SMILES notation for 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine?
The canonical SMILES for 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine is C=CCCCNCC(C)(C)CC(C)(C)C(C)OC.
What is the InChIKey of 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine?
The InChIKey is YEIVHNJZUSBIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-8-9-10-11-17-13-15(3,4)12-16(5,6)14(2)18-7/h8,14,17H,1,9-13H2,2-7H3.
What are the key properties of 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine?
5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,4,4-tetramethyl-N-pent-4-enylhexan-1-amine is sourced from PubChem (CID 139356793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).