N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine

C7H21N5 — CID 18714434

IUPACN'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine
SMILESCNCNCN(CNC)CNC
InChIInChI=1S/C7H21N5/c1-8-4-11-7-12(5-9-2)6-10-3/h8-11H,4-7H2,1-3H3
InChIKeyKJVCYBZCVARSJD-UHFFFAOYSA-N
MW175.28 g/mol
LogP-1.63
Rot. Bonds8

About N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine

N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine (PubChem CID 18714434) has the molecular formula C7H21N5 and a molecular weight of 175.28 g/mol. Its IUPAC name is N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine.

Molecular Properties

Compound NameN'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine
PubChem CID18714434
Molecular FormulaC7H21N5
Molecular Weight175.28 g/mol
Exact Mass175.18
IUPAC NameN'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine
SMILESCNCNCN(CNC)CNC
InChIInChI=1S/C7H21N5/c1-8-4-11-7-12(5-9-2)6-10-3/h8-11H,4-7H2,1-3H3
InChIKeyKJVCYBZCVARSJD-UHFFFAOYSA-N
XLogP-1.63
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine?
The IUPAC name of N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine (CID 18714434) is N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine.
What is the SMILES notation for N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine?
The canonical SMILES for N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine is CNCNCN(CNC)CNC.
What is the InChIKey of N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine?
The InChIKey is KJVCYBZCVARSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H21N5/c1-8-4-11-7-12(5-9-2)6-10-3/h8-11H,4-7H2,1-3H3.
What are the key properties of N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine?
N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine has a molecular weight of 175.28 g/mol, XLogP of -1.63, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[bis(methylaminomethyl)amino]methyl]-N-methylmethanediamine is sourced from PubChem (CID 18714434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).