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

C10H22N2 — CID 60684295

IUPACN',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNCCN(CC)CC
InChIInChI=1S/C10H22N2/c1-5-12(6-2)8-7-11-9-10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKeyZBDVOAPECDCDTI-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds7

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

N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 60684295) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID60684295
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNCCN(CC)CC
InChIInChI=1S/C10H22N2/c1-5-12(6-2)8-7-11-9-10(3)4/h11H,3,5-9H2,1-2,4H3
InChIKeyZBDVOAPECDCDTI-UHFFFAOYSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.49
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-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine
CID 60871843
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241
N-(2-methylprop-2-enyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 60690147
N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
CID 60872428
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
2-(2-methylprop-2-enylamino)ethanol
CID 19100967
1-N,1-N-diethyl-4-N-(2-methylprop-2-enyl)pentane-1,4-diamine
CID 60689920
3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
1-(diethylamino)-5-methylhex-5-en-3-one
CID 79180161
N',N'-diethyl-N-[[2-(2-methylprop-2-enoxy)phenyl]methyl]ethane-1,2-diamine
CID 54849249
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 60684295) is N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNCCN(CC)CC.
What is the InChIKey of N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is ZBDVOAPECDCDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-12(6-2)8-7-11-9-10(3)4/h11H,3,5-9H2,1-2,4H3.
What are the key properties of N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine?
N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 60684295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).