N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine

C11H27N3 — CID 176602004

IUPACN'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)CCNC(C)(C)C
InChIInChI=1S/C11H27N3/c1-10(2)14(8-6-12)9-7-13-11(3,4)5/h10,13H,6-9,12H2,1-5H3
InChIKeyXRLMNRAGXPSUSP-UHFFFAOYSA-N
MW201.36 g/mol
LogP1.04
Rot. Bonds6

About N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine

N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine (PubChem CID 176602004) has the molecular formula C11H27N3 and a molecular weight of 201.36 g/mol. Its IUPAC name is N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine
PubChem CID176602004
Molecular FormulaC11H27N3
Molecular Weight201.36 g/mol
Exact Mass201.22
IUPAC NameN'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)N(CCN)CCNC(C)(C)C
InChIInChI=1S/C11H27N3/c1-10(2)14(8-6-12)9-7-13-11(3,4)5/h10,13H,6-9,12H2,1-5H3
InChIKeyXRLMNRAGXPSUSP-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
CID 164940273
N'-propan-2-yl-N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513345
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 61486484
N-tert-butyl-N'-methyl-N'-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 61387189
2-[2-aminoethyl(propan-2-yl)amino]acetamide
CID 61348378
N'-tert-butyl-N-[2-[methyl(propan-2-yl)amino]ethyl]ethane-1,2-diamine
CID 107445595
N'-(2-methoxyethyl)-3,3-dimethyl-N'-propan-2-ylhexane-1,6-diamine
CID 82951497
2-[2-aminoethyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 61489563
N-tert-butyl-2-methyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62422187
N,N'-ditert-butyl-N'-[2-(ditert-butylamino)ethyl]ethane-1,2-diamine
CID 87948910
N'-butan-2-yl-N-tert-butyl-N'-ethylbutane-1,4-diamine
CID 62420127
N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459

Frequently Asked Questions

What is the IUPAC name of N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine (CID 176602004) is N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine is CC(C)N(CCN)CCNC(C)(C)C.
What is the InChIKey of N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is XRLMNRAGXPSUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3/c1-10(2)14(8-6-12)9-7-13-11(3,4)5/h10,13H,6-9,12H2,1-5H3.
What are the key properties of N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine?
N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 201.36 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(tert-butylamino)ethyl]-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 176602004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).