N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine

C11H22N2 — CID 59951318

IUPACN,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine
SMILESC=C(C)CN(C)CN(C)CC(=C)C
InChIInChI=1S/C11H22N2/c1-10(2)7-12(5)9-13(6)8-11(3)4/h1,3,7-9H2,2,4-6H3
InChIKeyXVCLBAXGGDSYPI-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.96
Rot. Bonds6

About N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine

N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine (PubChem CID 59951318) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine.

Molecular Properties

Compound NameN,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine
PubChem CID59951318
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine
SMILESC=C(C)CN(C)CN(C)CC(=C)C
InChIInChI=1S/C11H22N2/c1-10(2)7-12(5)9-13(6)8-11(3)4/h1,3,7-9H2,2,4-6H3
InChIKeyXVCLBAXGGDSYPI-UHFFFAOYSA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine?
The IUPAC name of N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine (CID 59951318) is N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine.
What is the SMILES notation for N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine?
The canonical SMILES for N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine is C=C(C)CN(C)CN(C)CC(=C)C.
What is the InChIKey of N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine?
The InChIKey is XVCLBAXGGDSYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)7-12(5)9-13(6)8-11(3)4/h1,3,7-9H2,2,4-6H3.
What are the key properties of N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine?
N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine has a molecular weight of 182.31 g/mol, XLogP of 1.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N,N'-bis(2-methylprop-2-enyl)methanediamine is sourced from PubChem (CID 59951318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).