N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine

C16H34N2O — CID 62257332

IUPACN-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CCOCC1C
InChIInChI=1S/C16H34N2O/c1-7-8-16(6,12-17-15(3,4)5)13-18-9-10-19-11-14(18)2/h14,17H,7-13H2,1-6H3
InChIKeyGTMMONJAKULVEV-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds6

About N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine

N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine (PubChem CID 62257332) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
PubChem CID62257332
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine
SMILESCCCC(C)(CNC(C)(C)C)CN1CCOCC1C
InChIInChI=1S/C16H34N2O/c1-7-8-16(6,12-17-15(3,4)5)13-18-9-10-19-11-14(18)2/h14,17H,7-13H2,1-6H3
InChIKeyGTMMONJAKULVEV-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine (CID 62257332) is N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine is CCCC(C)(CNC(C)(C)C)CN1CCOCC1C.
What is the InChIKey of N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine?
The InChIKey is GTMMONJAKULVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-7-8-16(6,12-17-15(3,4)5)13-18-9-10-19-11-14(18)2/h14,17H,7-13H2,1-6H3.
What are the key properties of N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine?
N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-[(3-methylmorpholin-4-yl)methyl]pentan-1-amine is sourced from PubChem (CID 62257332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).