N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine

C6H15N3 — CID 88939852

IUPACN,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine
SMILESC=NN(C)CCN(C)C
InChIInChI=1S/C6H15N3/c1-7-9(4)6-5-8(2)3/h1,5-6H2,2-4H3
InChIKeyLOYFNKMPPKBUJJ-UHFFFAOYSA-N
MW129.21 g/mol
LogP0.10
Rot. Bonds4

About N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine

N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine (PubChem CID 88939852) has the molecular formula C6H15N3 and a molecular weight of 129.21 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine
PubChem CID88939852
Molecular FormulaC6H15N3
Molecular Weight129.21 g/mol
Exact Mass129.13
IUPAC NameN,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine
SMILESC=NN(C)CCN(C)C
InChIInChI=1S/C6H15N3/c1-7-9(4)6-5-8(2)3/h1,5-6H2,2-4H3
InChIKeyLOYFNKMPPKBUJJ-UHFFFAOYSA-N
XLogP0.10
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.21
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine (CID 88939852) is N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine is C=NN(C)CCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine?
The InChIKey is LOYFNKMPPKBUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3/c1-7-9(4)6-5-8(2)3/h1,5-6H2,2-4H3.
What are the key properties of N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine?
N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine has a molecular weight of 129.21 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-(methylideneamino)ethane-1,2-diamine is sourced from PubChem (CID 88939852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).