methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine

C10H26N2 — CID 159899585

IUPACmethane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
SMILESC.C.C=C(C)CN(C)CN(C)C
InChIInChI=1S/C8H18N2.2CH4/c1-8(2)6-10(5)7-9(3)4;;/h1,6-7H2,2-5H3;2*1H4
InChIKeyNVTZGYQIXWHTGI-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.29
Rot. Bonds4

About methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine

methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine (PubChem CID 159899585) has the molecular formula C10H26N2 and a molecular weight of 174.33 g/mol. Its IUPAC name is methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine.

Molecular Properties

Compound Namemethane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
PubChem CID159899585
Molecular FormulaC10H26N2
Molecular Weight174.33 g/mol
Exact Mass174.21
IUPAC Namemethane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
SMILESC.C.C=C(C)CN(C)CN(C)C
InChIInChI=1S/C8H18N2.2CH4/c1-8(2)6-10(5)7-9(3)4;;/h1,6-7H2,2-5H3;2*1H4
InChIKeyNVTZGYQIXWHTGI-UHFFFAOYSA-N
XLogP2.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.29
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 methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
The IUPAC name of methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine (CID 159899585) is methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine.
What is the SMILES notation for methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
The canonical SMILES for methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine is C.C.C=C(C)CN(C)CN(C)C.
What is the InChIKey of methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
The InChIKey is NVTZGYQIXWHTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.2CH4/c1-8(2)6-10(5)7-9(3)4;;/h1,6-7H2,2-5H3;2*1H4.
What are the key properties of methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine has a molecular weight of 174.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine is sourced from PubChem (CID 159899585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).