N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine

C13H29NO2 — CID 126671623

IUPACN-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2)14-7-9-16-11-10-15-8-6-13(3,4)5/h12,14H,6-11H2,1-5H3
InChIKeyIZPAYGXABIMROD-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine

N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 126671623) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
PubChem CID126671623
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-12(2)14-7-9-16-11-10-15-8-6-13(3,4)5/h12,14H,6-11H2,1-5H3
InChIKeyIZPAYGXABIMROD-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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

1-[2-[2-[2-[2-[2-[2-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3,3-dimethylbutane
CID 153439578
N-[2-[3-[2-(propan-2-ylamino)ethoxy]-2,2-bis[2-(propan-2-ylamino)ethoxymethyl]propoxy]ethyl]propan-2-amine
CID 140945350
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138744855
3,3-dimethyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 167271345
N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
CID 156802607
3,3-dimethyl-N-propan-2-ylbutan-1-amine;methane
CID 161005909
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
3,3-dimethyl-1-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]butane
CID 167646530
N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]propan-1-amine
CID 138727595
N-[2-[2-(3-methylbutoxy)ethoxy]ethyl]propan-2-amine;molecular hydrogen
CID 171507882
3,3-dimethyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]butanamide
CID 135224068
N-[2-(3,3-dimethylbutoxy)ethyl]-2,5-dimethyl-5-[2-[2-[[(2S)-3-methylbutan-2-yl]amino]ethoxy]ethoxy]hexan-2-amine
CID 174029809

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine (CID 126671623) is N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOCCC(C)(C)C.
What is the InChIKey of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is IZPAYGXABIMROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-12(2)14-7-9-16-11-10-15-8-6-13(3,4)5/h12,14H,6-11H2,1-5H3.
What are the key properties of N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine?
N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 231.38 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3,3-dimethylbutoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 126671623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).