N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine

C22H47N3O2 — CID 170039013

IUPACN-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine
SMILESCCCC(C)(CCC)CNCC1CN(CCOCCNC(C)(C)C)CCO1
InChIInChI=1S/C22H47N3O2/c1-7-9-22(6,10-8-2)19-23-17-20-18-25(13-16-27-20)12-15-26-14-11-24-21(3,4)5/h20,23-24H,7-19H2,1-6H3
InChIKeyHVEVDQSOZCXERW-UHFFFAOYSA-N
MW385.64 g/mol
LogP3.29
Rot. Bonds14

About N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine

N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine (PubChem CID 170039013) has the molecular formula C22H47N3O2 and a molecular weight of 385.64 g/mol. Its IUPAC name is N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine
PubChem CID170039013
Molecular FormulaC22H47N3O2
Molecular Weight385.64 g/mol
Exact Mass385.37
IUPAC NameN-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine
SMILESCCCC(C)(CCC)CNCC1CN(CCOCCNC(C)(C)C)CCO1
InChIInChI=1S/C22H47N3O2/c1-7-9-22(6,10-8-2)19-23-17-20-18-25(13-16-27-20)12-15-26-14-11-24-21(3,4)5/h20,23-24H,7-19H2,1-6H3
InChIKeyHVEVDQSOZCXERW-UHFFFAOYSA-N
XLogP3.29
TPSA45.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine?
The IUPAC name of N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine (CID 170039013) is N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine.
What is the SMILES notation for N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine?
The canonical SMILES for N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine is CCCC(C)(CCC)CNCC1CN(CCOCCNC(C)(C)C)CCO1.
What is the InChIKey of N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine?
The InChIKey is HVEVDQSOZCXERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O2/c1-7-9-22(6,10-8-2)19-23-17-20-18-25(13-16-27-20)12-15-26-14-11-24-21(3,4)5/h20,23-24H,7-19H2,1-6H3.
What are the key properties of N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine?
N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine has a molecular weight of 385.64 g/mol, XLogP of 3.29, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[2-(tert-butylamino)ethoxy]ethyl]morpholin-2-yl]methyl]-2-methyl-2-propylpentan-1-amine is sourced from PubChem (CID 170039013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).