N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine

C13H31N3O — CID 153468159

IUPACN'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine
SMILESCC(C)(C)NCCOCCNCNC(C)(C)C
InChIInChI=1S/C13H31N3O/c1-12(2,3)15-8-10-17-9-7-14-11-16-13(4,5)6/h14-16H,7-11H2,1-6H3
InChIKeyXPAOGZXFXXFMKD-UHFFFAOYSA-N
MW245.41 g/mol
LogP1.33
Rot. Bonds8

About N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine

N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine (PubChem CID 153468159) has the molecular formula C13H31N3O and a molecular weight of 245.41 g/mol. Its IUPAC name is N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine
PubChem CID153468159
Molecular FormulaC13H31N3O
Molecular Weight245.41 g/mol
Exact Mass245.25
IUPAC NameN'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine
SMILESCC(C)(C)NCCOCCNCNC(C)(C)C
InChIInChI=1S/C13H31N3O/c1-12(2,3)15-8-10-17-9-7-14-11-16-13(4,5)6/h14-16H,7-11H2,1-6H3
InChIKeyXPAOGZXFXXFMKD-UHFFFAOYSA-N
XLogP1.33
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(tert-butylamino)ethoxy]ethyl]butan-1-amine
CID 149134271
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
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-(2-butoxyethyl)-2-methylpropan-2-amine
CID 61483179
2-methyl-N-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 135302587
N-[2-[2-[4-[2-(4,4-dimethylpentoxy)ethoxy]butoxy]ethoxy]ethyl]-2-methylpropan-2-amine
CID 169300394
2-methyl-N-[2-[2-[3-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]propoxy]ethoxy]ethyl]propan-2-amine
CID 126654287
1-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]propan-2-one
CID 166662752
4-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 177194352
1-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]-4,4-dimethylpentan-3-one
CID 59078266
N-[2-[2-[2-[2-(tert-butylamino)ethoxy]ethoxy]ethoxy]ethyl]-2,2-dimethylpropanamide
CID 156551208

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine?
The IUPAC name of N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine (CID 153468159) is N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine.
What is the SMILES notation for N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine?
The canonical SMILES for N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine is CC(C)(C)NCCOCCNCNC(C)(C)C.
What is the InChIKey of N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine?
The InChIKey is XPAOGZXFXXFMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H31N3O/c1-12(2,3)15-8-10-17-9-7-14-11-16-13(4,5)6/h14-16H,7-11H2,1-6H3.
What are the key properties of N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine?
N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine has a molecular weight of 245.41 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[2-[2-(tert-butylamino)ethoxy]ethyl]methanediamine is sourced from PubChem (CID 153468159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).