N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine

C13H29NO2 — CID 103074770

IUPACN-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine
SMILESCCCOCCOCC(C)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-6-7-15-8-9-16-11-12(2)10-14-13(3,4)5/h12,14H,6-11H2,1-5H3
InChIKeySCCRMCUVSRQXLT-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.45
Rot. Bonds9

About N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine

N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine (PubChem CID 103074770) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine
PubChem CID103074770
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine
SMILESCCCOCCOCC(C)CNC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-6-7-15-8-9-16-11-12(2)10-14-13(3,4)5/h12,14H,6-11H2,1-5H3
InChIKeySCCRMCUVSRQXLT-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

N-tert-butyl-2-methyl-3-(4-propoxyphenoxy)propan-1-amine
CID 62484954
2-methyl-N-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 138466955
N-tert-butyl-2-methylpentan-1-amine
CID 43200440
2-methyl-2-[1-(2-propoxyethoxy)propan-2-yloxy]propane
CID 121485807
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
N-tert-butyl-2-methyl-3-octan-2-yloxypropan-1-amine
CID 103074508
N-methyl-1-(2-propoxyethoxy)propan-2-amine
CID 63686556
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
2,2-dimethylpropyl-dimethyl-(2-methyl-3-propoxypropyl)silane
CID 20715705
N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
CID 161286345
N-[2-(4-bromophenyl)-2-(2-propoxyethoxy)ethyl]-2-methylpropan-2-amine
CID 63686186
2-methoxy-1-(2-propoxyethoxy)propane
CID 131970313

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine (CID 103074770) is N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine is CCCOCCOCC(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine?
The InChIKey is SCCRMCUVSRQXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-7-15-8-9-16-11-12(2)10-14-13(3,4)5/h12,14H,6-11H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine?
N-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-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-tert-butyl-2-methyl-3-(2-propoxyethoxy)propan-1-amine is sourced from PubChem (CID 103074770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).