N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine

C9H20N2 — CID 62635241

IUPACN'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNCCN(C)CC
InChIInChI=1S/C9H20N2/c1-5-11(4)7-6-10-8-9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyUSSSMRWNIVDWFF-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.10
Rot. Bonds6

About N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 62635241) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID62635241
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNCCN(C)CC
InChIInChI=1S/C9H20N2/c1-5-11(4)7-6-10-8-9(2)3/h10H,2,5-8H2,1,3-4H3
InChIKeyUSSSMRWNIVDWFF-UHFFFAOYSA-N
XLogP1.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N'-ethyl-N'-methyl-N-(2-methylidenebutyl)ethane-1,2-diamine
CID 66046180
N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60684295
2-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylacetamide
CID 62640483
N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60690147
N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79168321
N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine
CID 176941787
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide
CID 87733157
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 62635241) is N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNCCN(C)CC.
What is the InChIKey of N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is USSSMRWNIVDWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-11(4)7-6-10-8-9(2)3/h10H,2,5-8H2,1,3-4H3.
What are the key properties of N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 62635241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).