N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine

C10H22N2 — CID 118928157

IUPACN-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(C)CCNCC
InChIInChI=1S/C10H22N2/c1-5-10(3)9-12(4)8-7-11-6-2/h5,11H,6-9H2,1-4H3/b10-5+
InChIKeyJFNWBAZSYMIEQZ-BJMVGYQFSA-N
MW170.30 g/mol
LogP1.49
Rot. Bonds6

About N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine

N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (PubChem CID 118928157) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
PubChem CID118928157
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine
SMILESC/C=C(\C)CN(C)CCNCC
InChIInChI=1S/C10H22N2/c1-5-10(3)9-12(4)8-7-11-6-2/h5,11H,6-9H2,1-4H3/b10-5+
InChIKeyJFNWBAZSYMIEQZ-BJMVGYQFSA-N
XLogP1.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

N1-(2-methyl-2-propenyl)-1,2-ethanediamine
CID 224772
3-methyl-N-(3-methylbut-2-enyl)but-2-en-1-amine
CID 67948027
Cambridge id 5513732
CID 2247104
Cambridge id 5513775
CID 2247116
(E)-N-tert-butyl-2-methylbut-2-en-1-amine
CID 14244683
N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
CID 129136227
N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine;(E)-1,1,1-trifluoro-2-methylbut-2-ene
CID 169188844
N-prenylputrescin
CID 102249184
N'-ethyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79261020
N-(3-fluoropropyl)-3-methylbut-2-en-1-amine
CID 106547312
N'-methyl-N'-(2-methylprop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 116288591
N,N-diethyl-N'-methyl-N'-(2-methyl-2-buten-1-yl)-1,2-ethanediamine
CID 2056876

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine (CID 118928157) is N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is C/C=C(\C)CN(C)CCNCC.
What is the InChIKey of N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
The InChIKey is JFNWBAZSYMIEQZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H22N2/c1-5-10(3)9-12(4)8-7-11-6-2/h5,11H,6-9H2,1-4H3/b10-5+.
What are the key properties of N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine?
N-ethyl-N'-methyl-N'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine has a molecular weight of 170.30 g/mol, XLogP of 1.49, 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'-[(E)-2-methylbut-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 118928157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).