1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C12H29N3 — CID 107444652

IUPAC1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCNC(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2,3)14-9-8-13-10-12(4,5)15(6)7/h13-14H,8-10H2,1-7H3
InChIKeyAETUMDKZMXWENV-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.30
Rot. Bonds6

About 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 107444652) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID107444652
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNCCNC(C)(C)C
InChIInChI=1S/C12H29N3/c1-11(2,3)14-9-8-13-10-12(4,5)15(6)7/h13-14H,8-10H2,1-7H3
InChIKeyAETUMDKZMXWENV-UHFFFAOYSA-N
XLogP1.30
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N,2-trimethyl-1-N-(3-methylbut-3-enyl)propane-1,2-diamine
CID 114472186
1-N-(2-tert-butylsulfonylethyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 106723490
3-[2-(tert-butylamino)ethylamino]-2-methylpropane-1,2-diol
CID 107445809
2-N,2-N,2-trimethyl-1-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103605340
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
2-N,2-N,2-trimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 28651842
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076
N'-tert-butyl-N-(methoxymethyl)ethane-1,2-diamine
CID 123157394
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
2-N,2-N,2-trimethyl-1-N-(3-phenoxypropyl)propane-1,2-diamine
CID 60693914
2-[[2-(dimethylamino)-2-methylpropyl]amino]-N-methylacetamide
CID 60693907

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 107444652) is 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNCCNC(C)(C)C.
What is the InChIKey of 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is AETUMDKZMXWENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-11(2,3)14-9-8-13-10-12(4,5)15(6)7/h13-14H,8-10H2,1-7H3.
What are the key properties of 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(tert-butylamino)ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 107444652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).