1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane

C10H26N2 — CID 170980277

IUPAC1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
SMILESCC.CCNC(C)NC(C)(C)C
InChIInChI=1S/C8H20N2.C2H6/c1-6-9-7(2)10-8(3,4)5;1-2/h7,9-10H,6H2,1-5H3;1-2H3
InChIKeyVLLNXNCDERPSFJ-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.36
Rot. Bonds3

About 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane

1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane (PubChem CID 170980277) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
PubChem CID170980277
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC Name1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane
SMILESCC.CCNC(C)NC(C)(C)C
InChIInChI=1S/C8H20N2.C2H6/c1-6-9-7(2)10-8(3,4)5;1-2/h7,9-10H,6H2,1-5H3;1-2H3
InChIKeyVLLNXNCDERPSFJ-UHFFFAOYSA-N
XLogP2.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N'-ditert-butylethane-1,1-diamine
CID 23031273
1-N'-tert-butyl-1-N-ethyl-2-methylbutane-1,1-diamine
CID 154626296
1-N,1-N'-diethylethane-1,1-diamine;molecular iodine
CID 162034687
ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
1-N'-butan-2-yl-1-N-ethylethane-1,1-diamine
CID 154626189
1-N,1-N'-ditert-butylpropane-1,1-diamine
CID 134169059
1-N'-(2-methylbutan-2-yl)-1-N-propylethane-1,1-diamine
CID 154626302
(3R)-N-tert-butyl-4-methylhexan-3-amine
CID 89089273
(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
1-(tert-butylamino)silyl-N,N'-diethylmethanediamine
CID 123478815
(3R)-N-tert-butyl-4,4,5-trimethylhexan-3-amine
CID 163855616

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane?
The IUPAC name of 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane (CID 170980277) is 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane.
What is the SMILES notation for 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane?
The canonical SMILES for 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane is CC.CCNC(C)NC(C)(C)C.
What is the InChIKey of 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane?
The InChIKey is VLLNXNCDERPSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C2H6/c1-6-9-7(2)10-8(3,4)5;1-2/h7,9-10H,6H2,1-5H3;1-2H3.
What are the key properties of 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane?
1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane has a molecular weight of 174.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-ethylethane-1,1-diamine;ethane is sourced from PubChem (CID 170980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).