1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine

C8H20N2 — CID 123387259

IUPAC1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine
SMILESCCN(C)C(C)NC(C)C
InChIInChI=1S/C8H20N2/c1-6-10(5)8(4)9-7(2)3/h7-9H,6H2,1-5H3
InChIKeyYOMDCYBPOPLUQO-UHFFFAOYSA-N
MW144.26 g/mol
LogP1.28
Rot. Bonds4

About 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine

1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine (PubChem CID 123387259) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine
PubChem CID123387259
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine
SMILESCCN(C)C(C)NC(C)C
InChIInChI=1S/C8H20N2/c1-6-10(5)8(4)9-7(2)3/h7-9H,6H2,1-5H3
InChIKeyYOMDCYBPOPLUQO-UHFFFAOYSA-N
XLogP1.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
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

N,N-dimethylethanamine;N-propan-2-ylpropan-2-amine
CID 87343596
ethene;N-ethyl-N-methylpropan-2-amine
CID 144977253
N-ethyl-N-methyl-2-(propan-2-ylamino)propanamide
CID 103107904
ethanol;N-ethyl-N-methylbutan-2-amine
CID 88665747
(2S)-2-N-ethyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 143518615
1-N'-ethyl-1-N'-methylpropane-1,1-diamine
CID 18987876
N,N-diethylethanamine;propan-2-ylphosphane
CID 88654253
CID 87569665
CID 87569665
1-[amino(methyl)amino]-N-propan-2-ylpropan-1-amine
CID 118974928
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
ethane;(2R)-N-ethyl-N-methylpentan-2-amine
CID 142583789
N-ethyl-N,3-dimethylpentan-2-amine
CID 89053898

Frequently Asked Questions

What is the IUPAC name of 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine (CID 123387259) is 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine is CCN(C)C(C)NC(C)C.
What is the InChIKey of 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine?
The InChIKey is YOMDCYBPOPLUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-6-10(5)8(4)9-7(2)3/h7-9H,6H2,1-5H3.
What are the key properties of 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine?
1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine has a molecular weight of 144.26 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-1-N'-methyl-1-N-propan-2-ylethane-1,1-diamine is sourced from PubChem (CID 123387259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).