2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine

C16H35NO3 — CID 146520233

IUPAC2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
SMILESCC(C)OCCOCCCCCOCCNC(C)(C)C
InChIInChI=1S/C16H35NO3/c1-15(2)20-14-13-19-11-8-6-7-10-18-12-9-17-16(3,4)5/h15,17H,6-14H2,1-5H3
InChIKeyCEIZWRAVRMTKDC-UHFFFAOYSA-N
MW289.46 g/mol
LogP3.00
Rot. Bonds13

About 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine

2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine (PubChem CID 146520233) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
PubChem CID146520233
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
SMILESCC(C)OCCOCCCCCOCCNC(C)(C)C
InChIInChI=1S/C16H35NO3/c1-15(2)20-14-13-19-11-8-6-7-10-18-12-9-17-16(3,4)5/h15,17H,6-14H2,1-5H3
InChIKeyCEIZWRAVRMTKDC-UHFFFAOYSA-N
XLogP3.00
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-4-(2-propan-2-yloxyethoxy)butan-1-amine
CID 62457092
2-methyl-N-[3-(3-propan-2-yloxypropoxy)propyl]propan-2-amine
CID 166769035
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
CID 169300394
2-methyl-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 135302587
N-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179
2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 167653793
N-ethyl-2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 138726958
4,4-dimethyl-1-[2-(2-propan-2-yloxyethoxy)ethoxy]pentane
CID 176777068
2-[2-[2-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 87184275
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine (CID 146520233) is 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine is CC(C)OCCOCCCCCOCCNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine?
The InChIKey is CEIZWRAVRMTKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO3/c1-15(2)20-14-13-19-11-8-6-7-10-18-12-9-17-16(3,4)5/h15,17H,6-14H2,1-5H3.
What are the key properties of 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine?
2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine has a molecular weight of 289.46 g/mol, XLogP of 3.00, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine is sourced from PubChem (CID 146520233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).