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

C8H18N2 — CID 59951303

IUPACN,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
SMILESC=C(C)CN(C)CN(C)C
InChIInChI=1S/C8H18N2/c1-8(2)6-10(5)7-9(3)4/h1,6-7H2,2-5H3
InChIKeyGBGRLJXQPWBFFI-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.01
Rot. Bonds4

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

N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine (PubChem CID 59951303) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
PubChem CID59951303
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine
SMILESC=C(C)CN(C)CN(C)C
InChIInChI=1S/C8H18N2/c1-8(2)6-10(5)7-9(3)4/h1,6-7H2,2-5H3
InChIKeyGBGRLJXQPWBFFI-UHFFFAOYSA-N
XLogP1.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.01
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,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
The IUPAC name of N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine (CID 59951303) is N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine is C=C(C)CN(C)CN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
The InChIKey is GBGRLJXQPWBFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2)6-10(5)7-9(3)4/h1,6-7H2,2-5H3.
What are the key properties of N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine?
N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine has a molecular weight of 142.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(2-methylprop-2-enyl)methanediamine is sourced from PubChem (CID 59951303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).