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

C7H16N2 — CID 55287143

IUPACN-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNCCNC
InChIInChI=1S/C7H16N2/c1-7(2)6-9-5-4-8-3/h8-9H,1,4-6H2,2-3H3
InChIKeyCXNYTQBGHALNOK-UHFFFAOYSA-N
MW128.22 g/mol
LogP0.37
Rot. Bonds5

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

N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine (PubChem CID 55287143) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine
PubChem CID55287143
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC NameN-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine
SMILESC=C(C)CNCCNC
InChIInChI=1S/C7H16N2/c1-7(2)6-9-5-4-8-3/h8-9H,1,4-6H2,2-3H3
InChIKeyCXNYTQBGHALNOK-UHFFFAOYSA-N
XLogP0.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.37
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine (CID 55287143) is N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine is C=C(C)CNCCNC.
What is the InChIKey of N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine?
The InChIKey is CXNYTQBGHALNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(2)6-9-5-4-8-3/h8-9H,1,4-6H2,2-3H3.
What are the key properties of N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine?
N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine has a molecular weight of 128.22 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-methylprop-2-enyl)ethane-1,2-diamine is sourced from PubChem (CID 55287143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).