N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine

C13H29NO2 — CID 106450242

IUPACN-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
SMILESCCCCNCC(C)OCCOCC(C)C
InChIInChI=1S/C13H29NO2/c1-5-6-7-14-10-13(4)16-9-8-15-11-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyZOORERYHOWCABM-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds11

About N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine

N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine (PubChem CID 106450242) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
PubChem CID106450242
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
SMILESCCCCNCC(C)OCCOCC(C)C
InChIInChI=1S/C13H29NO2/c1-5-6-7-14-10-13(4)16-9-8-15-11-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyZOORERYHOWCABM-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
2-ethoxy-N-[2-(2-methylpropoxy)ethyl]propan-1-amine
CID 106452518
N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
CID 82009434
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine?
The IUPAC name of N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine (CID 106450242) is N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine.
What is the SMILES notation for N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine?
The canonical SMILES for N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine is CCCCNCC(C)OCCOCC(C)C.
What is the InChIKey of N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine?
The InChIKey is ZOORERYHOWCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-6-7-14-10-13(4)16-9-8-15-11-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine?
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine is sourced from PubChem (CID 106450242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).