(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine

C8H20N2 — CID 143518615

IUPAC(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCCN(C)[C@@H](C)CN(C)C
InChIInChI=1S/C8H20N2/c1-6-10(5)8(2)7-9(3)4/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyYURLCPWTAJZASD-QMMMGPOBSA-N
MW144.26 g/mol
LogP0.89
Rot. Bonds4

About (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine

(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine (PubChem CID 143518615) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
PubChem CID143518615
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
SMILESCCN(C)[C@@H](C)CN(C)C
InChIInChI=1S/C8H20N2/c1-6-10(5)8(2)7-9(3)4/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyYURLCPWTAJZASD-QMMMGPOBSA-N
XLogP0.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
N,N-dimethylethanamine;2-methylpropane
CID 145274023
2-N-ethyl-1-N,2-N-dimethyl-1-N-propan-2-ylbutane-1,2-diamine
CID 164857720
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188353
(2R)-1-N-[1-(dimethylamino)propan-2-yl]-1-N-ethylpropane-1,2-diamine
CID 103188351
2-N-tert-butyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 18340921
N-ethyl-1-methoxy-N-methylpropan-2-amine
CID 142890650
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
3-N-[1-[1-(dimethylamino)propan-2-yl-methylamino]propan-2-yl]-1-N,1-N,2,3-tetramethylpentane-1,3-diamine;propane
CID 144892281
N-ethyl-N,5-dimethylheptan-2-amine
CID 91289323

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The IUPAC name of (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine (CID 143518615) is (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine.
What is the SMILES notation for (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The canonical SMILES for (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine is CCN(C)[C@@H](C)CN(C)C.
What is the InChIKey of (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
The InChIKey is YURLCPWTAJZASD-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H20N2/c1-6-10(5)8(2)7-9(3)4/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine?
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine is sourced from PubChem (CID 143518615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).