N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine

C13H28N2 — CID 107398077

IUPACN-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)(C)C)CC1CCC1
InChIInChI=1S/C13H28N2/c1-5-15(11-12-7-6-8-12)10-9-14-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyODCBVZPETKXWPH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds6

About N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine

N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine (PubChem CID 107398077) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
PubChem CID107398077
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CCNC(C)(C)C)CC1CCC1
InChIInChI=1S/C13H28N2/c1-5-15(11-12-7-6-8-12)10-9-14-13(2,3)4/h12,14H,5-11H2,1-4H3
InChIKeyODCBVZPETKXWPH-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107398006
N'-(cyclobutylmethyl)-N-cyclohexyl-N'-ethylethane-1,2-diamine
CID 107402209
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethyl-2-methylpropane-1,3-diamine
CID 107400773
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
CID 142350039
N'-(cyclobutylmethyl)-N'-ethyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 107402187
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
N'-(cyclohexylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 2058149
N'-(cyclobutylmethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 107402185
5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 107400976
3-[cyclobutylmethyl(ethyl)amino]propan-1-ol
CID 115666204
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine (CID 107398077) is N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine is CCN(CCNC(C)(C)C)CC1CCC1.
What is the InChIKey of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine?
The InChIKey is ODCBVZPETKXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-15(11-12-7-6-8-12)10-9-14-13(2,3)4/h12,14H,5-11H2,1-4H3.
What are the key properties of N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine?
N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 107398077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).