N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine

C19H40N2O — CID 126624930

IUPACN-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine
SMILESCC(C)(C)NCCCCCCCCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H40N2O/c1-18(2,3)20-13-11-9-7-6-8-10-12-19(4,5)21-14-16-22-17-15-21/h20H,6-17H2,1-5H3
InChIKeyRLKRUTCOPZUUNQ-UHFFFAOYSA-N
MW312.54 g/mol
LogP4.22
Rot. Bonds10

About N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine

N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine (PubChem CID 126624930) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine
PubChem CID126624930
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC NameN-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine
SMILESCC(C)(C)NCCCCCCCCC(C)(C)N1CCOCC1
InChIInChI=1S/C19H40N2O/c1-18(2,3)20-13-11-9-7-6-8-10-12-19(4,5)21-14-16-22-17-15-21/h20H,6-17H2,1-5H3
InChIKeyRLKRUTCOPZUUNQ-UHFFFAOYSA-N
XLogP4.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.54
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine?
The IUPAC name of N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine (CID 126624930) is N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine.
What is the SMILES notation for N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine?
The canonical SMILES for N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine is CC(C)(C)NCCCCCCCCC(C)(C)N1CCOCC1.
What is the InChIKey of N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine?
The InChIKey is RLKRUTCOPZUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N2O/c1-18(2,3)20-13-11-9-7-6-8-10-12-19(4,5)21-14-16-22-17-15-21/h20H,6-17H2,1-5H3.
What are the key properties of N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine?
N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine has a molecular weight of 312.54 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-9-methyl-9-morpholin-4-yldecan-1-amine is sourced from PubChem (CID 126624930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).