N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen

C10H26N2 — CID 142350039

IUPACN-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
SMILESCCN(CC)CCNC(C)(C)C.[H][H]
InChIInChI=1S/C10H24N2.H2/c1-6-12(7-2)9-8-11-10(3,4)5;/h11H,6-9H2,1-5H3;1H
InChIKeyYBNQIBZKYJEYME-UHFFFAOYSA-N
MW174.33 g/mol
LogP1.96
Rot. Bonds5

About N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen

N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen (PubChem CID 142350039) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen.

Molecular Properties

Compound NameN-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
PubChem CID142350039
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC NameN-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen
SMILESCCN(CC)CCNC(C)(C)C.[H][H]
InChIInChI=1S/C10H24N2.H2/c1-6-12(7-2)9-8-11-10(3,4)5;/h11H,6-9H2,1-5H3;1H
InChIKeyYBNQIBZKYJEYME-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-(cyclobutylmethyl)-N'-ethylethane-1,2-diamine
CID 107398077
2-[2-(tert-butylamino)ethyl-ethylamino]-N,N-dimethylacetamide
CID 107446461
N'-(2-aminoethyl)-N'-[2-(tert-butylamino)ethyl]ethane-1,2-diamine
CID 164940273
1-N-tert-butyl-4-N-[3-(diethylamino)propyl]-4-N-ethylpentane-1,4-diamine
CID 102997720
N-tert-butyl-N'-ethyl-N'-propylbutane-1,4-diamine
CID 62422518
N-(4-chloro-2-methylbutan-2-yl)-N',N'-diethylethane-1,2-diamine
CID 107913963
2-[2-(diethylamino)ethylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852678
3-[2-(diethylamino)ethylamino]-2,2,3-trimethylbutanoic acid
CID 65265735
methyl 2-[2-(diethylamino)ethylamino]-2-methylpropanoate
CID 60994914
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N-tert-butyl-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 61386704

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen?
The IUPAC name of N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen (CID 142350039) is N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen.
What is the SMILES notation for N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen?
The canonical SMILES for N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen is CCN(CC)CCNC(C)(C)C.[H][H].
What is the InChIKey of N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen?
The InChIKey is YBNQIBZKYJEYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2.H2/c1-6-12(7-2)9-8-11-10(3,4)5;/h11H,6-9H2,1-5H3;1H.
What are the key properties of N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen?
N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen has a molecular weight of 174.33 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N',N'-diethylethane-1,2-diamine;molecular hydrogen is sourced from PubChem (CID 142350039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).