N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

C17H37NO4 — CID 166800536

IUPACN-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCOCCCC(C)C
InChIInChI=1S/C17H37NO4/c1-4-7-18-8-10-20-12-14-22-16-15-21-13-11-19-9-5-6-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyHXJNRSMXESVBRI-UHFFFAOYSA-N
MW319.49 g/mol
LogP2.49
Rot. Bonds18

About N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine

N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (PubChem CID 166800536) has the molecular formula C17H37NO4 and a molecular weight of 319.49 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
PubChem CID166800536
Molecular FormulaC17H37NO4
Molecular Weight319.49 g/mol
Exact Mass319.27
IUPAC NameN-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
SMILESCCCNCCOCCOCCOCCOCCCC(C)C
InChIInChI=1S/C17H37NO4/c1-4-7-18-8-10-20-12-14-22-16-15-21-13-11-19-9-5-6-17(2)3/h17-18H,4-16H2,1-3H3
InChIKeyHXJNRSMXESVBRI-UHFFFAOYSA-N
XLogP2.49
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 52.49
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

2-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-1-amine
CID 142623041
N'-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 172512750
4-methyl-1-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]pentane
CID 58371353
5-methyl-N-[3-(4-methylpentoxy)propyl]hexan-1-amine
CID 163400443
2-methyl-N-[2-(4-methylpentoxy)ethyl]propan-1-amine;molecular hydrogen
CID 157169252
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
N-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine
CID 178164668
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
3-methyl-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]butan-1-amine
CID 142623061
N-(2-methoxyethyl)-4-(4-methylpentoxy)butan-1-amine
CID 62597263
N-(2-undecoxyethyl)propan-1-amine
CID 22091510
5-methyl-1-[2-(4-methylpentoxy)ethoxy]hexane
CID 157231841

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The IUPAC name of N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine (CID 166800536) is N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is CCCNCCOCCOCCOCCOCCCC(C)C.
What is the InChIKey of N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
The InChIKey is HXJNRSMXESVBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO4/c1-4-7-18-8-10-20-12-14-22-16-15-21-13-11-19-9-5-6-17(2)3/h17-18H,4-16H2,1-3H3.
What are the key properties of N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine?
N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine has a molecular weight of 319.49 g/mol, XLogP of 2.49, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(4-methylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]propan-1-amine is sourced from PubChem (CID 166800536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).