2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine

C14H32N2 — CID 61437108

IUPAC2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)C(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-12(8-2)11-16(9-3)13(10-15)14(4,5)6/h12-13H,7-11,15H2,1-6H3
InChIKeyRTQVOIGQEZACDY-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.12
Rot. Bonds7

About 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine

2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine (PubChem CID 61437108) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine
PubChem CID61437108
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)C(C)(C)C
InChIInChI=1S/C14H32N2/c1-7-12(8-2)11-16(9-3)13(10-15)14(4,5)6/h12-13H,7-11,15H2,1-6H3
InChIKeyRTQVOIGQEZACDY-UHFFFAOYSA-N
XLogP3.12
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine (CID 61437108) is 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine is CCC(CC)CN(CC)C(CN)C(C)(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine?
The InChIKey is RTQVOIGQEZACDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-12(8-2)11-16(9-3)13(10-15)14(4,5)6/h12-13H,7-11,15H2,1-6H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylbutyl)-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 61437108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).