5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine

C21H45NO — CID 150162386

IUPAC5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine
SMILESCCCCCCCCC(OCCCCCN)C(C)(C)C(C)(C)C
InChIInChI=1S/C21H45NO/c1-7-8-9-10-11-13-16-19(21(5,6)20(2,3)4)23-18-15-12-14-17-22/h19H,7-18,22H2,1-6H3
InChIKeyFHSCNZKYQITQFC-UHFFFAOYSA-N
MW327.60 g/mol
LogP6.32
Rot. Bonds14

About 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine

5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine (PubChem CID 150162386) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine.

Molecular Properties

Compound Name5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine
PubChem CID150162386
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Name5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine
SMILESCCCCCCCCC(OCCCCCN)C(C)(C)C(C)(C)C
InChIInChI=1S/C21H45NO/c1-7-8-9-10-11-13-16-19(21(5,6)20(2,3)4)23-18-15-12-14-17-22/h19H,7-18,22H2,1-6H3
InChIKeyFHSCNZKYQITQFC-UHFFFAOYSA-N
XLogP6.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine?
The IUPAC name of 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine (CID 150162386) is 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine.
What is the SMILES notation for 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine?
The canonical SMILES for 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine is CCCCCCCCC(OCCCCCN)C(C)(C)C(C)(C)C.
What is the InChIKey of 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine?
The InChIKey is FHSCNZKYQITQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-7-8-9-10-11-13-16-19(21(5,6)20(2,3)4)23-18-15-12-14-17-22/h19H,7-18,22H2,1-6H3.
What are the key properties of 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine?
5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine has a molecular weight of 327.60 g/mol, XLogP of 6.32, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,3,3-tetramethyldodecan-4-yloxy)pentan-1-amine is sourced from PubChem (CID 150162386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).