N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine

C21H45NO4 — CID 169300394

IUPACN-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCOCCOCCCCOCCOCCNC(C)(C)C
InChIInChI=1S/C21H45NO4/c1-20(2,3)10-9-14-25-17-16-23-12-7-8-13-24-18-19-26-15-11-22-21(4,5)6/h22H,7-19H2,1-6H3
InChIKeyLINVRQYVMVVIPD-UHFFFAOYSA-N
MW375.59 g/mol
LogP4.05
Rot. Bonds17

About N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine

N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine (PubChem CID 169300394) has the molecular formula C21H45NO4 and a molecular weight of 375.59 g/mol. Its IUPAC name is N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
PubChem CID169300394
Molecular FormulaC21H45NO4
Molecular Weight375.59 g/mol
Exact Mass375.33
IUPAC NameN-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)CCCOCCOCCCCOCCOCCNC(C)(C)C
InChIInChI=1S/C21H45NO4/c1-20(2,3)10-9-14-25-17-16-23-12-7-8-13-24-18-19-26-15-11-22-21(4,5)6/h22H,7-19H2,1-6H3
InChIKeyLINVRQYVMVVIPD-UHFFFAOYSA-N
XLogP4.05
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
1-[5-(4,4-dimethylpentoxy)pentoxy]-4,4-dimethylpentane
CID 158699807
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
2-methyl-N-[2-[5-(2-propan-2-yloxyethoxy)pentoxy]ethyl]propan-2-amine
CID 146520233
3-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]-N-(4,4-dimethylpentyl)propanamide
CID 166976016
N-tert-butyl-6,6-dimethylheptan-1-amine;N-tert-butyl-7,7-dimethyloctan-1-amine;N-tert-butyl-4,4-dimethylpentan-1-amine;N-tert-butyl-4-[(2-methylpropan-2-yl)oxy]butan-1-amine;N-tert-butyl-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;1-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentane;1-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane;N-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;N-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine;3,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane;3,3-dimethyl-1-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;3,3-dimethyl-1-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butane;5,5-dimethyl-1-[(2-methylpropan-2-yl)oxy]hexane;8,8-dimethyl-1-[(2-methylpropan-2-yl)oxy]nonane;2-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propan-2-amine;2-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]propane;2,2,6,6-tetramethylheptane;2,2,5,5-tetramethylhexane;2,2,8,8-tetramethylnonane
CID 167631084
2-methyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138466955
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-methylpropan-2-amine
CID 58904017
N-tert-butyl-4-[3-(2-methoxyethoxy)propoxy]butan-1-amine
CID 103406524
N-[3-[2-(2-ethoxyethoxy)ethoxy]propyl]-2-methylpropan-2-amine
CID 89274546
N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-2-amine
CID 62455424

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine (CID 169300394) is N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine is CC(C)(C)CCCOCCOCCCCOCCOCCNC(C)(C)C.
What is the InChIKey of N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
The InChIKey is LINVRQYVMVVIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO4/c1-20(2,3)10-9-14-25-17-16-23-12-7-8-13-24-18-19-26-15-11-22-21(4,5)6/h22H,7-19H2,1-6H3.
What are the key properties of N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine?
N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine has a molecular weight of 375.59 g/mol, XLogP of 4.05, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 169300394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).