N"-(diaminomethyl)methanetriamine

C2H11N5 — CID 101272738

IUPACN"-(diaminomethyl)methanetriamine
SMILESNC(N)NC(N)N
InChIInChI=1S/C2H11N5/c3-1(4)7-2(5)6/h1-2,7H,3-6H2
InChIKeyOXYGMNLSFNEIQY-UHFFFAOYSA-N
MW105.14 g/mol
LogP-3.02
Rot. Bonds2

About N"-(diaminomethyl)methanetriamine

N"-(diaminomethyl)methanetriamine (PubChem CID 101272738) has the molecular formula C2H11N5 and a molecular weight of 105.14 g/mol. Its IUPAC name is N"-(diaminomethyl)methanetriamine.

Molecular Properties

Compound NameN"-(diaminomethyl)methanetriamine
PubChem CID101272738
Molecular FormulaC2H11N5
Molecular Weight105.14 g/mol
Exact Mass105.10
IUPAC NameN"-(diaminomethyl)methanetriamine
SMILESNC(N)NC(N)N
InChIInChI=1S/C2H11N5/c3-1(4)7-2(5)6/h1-2,7H,3-6H2
InChIKeyOXYGMNLSFNEIQY-UHFFFAOYSA-N
XLogP-3.02
TPSA116.11 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 5-3.02
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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"-(diaminomethyl)methanetriamine?
The IUPAC name of N"-(diaminomethyl)methanetriamine (CID 101272738) is N"-(diaminomethyl)methanetriamine.
What is the SMILES notation for N"-(diaminomethyl)methanetriamine?
The canonical SMILES for N"-(diaminomethyl)methanetriamine is NC(N)NC(N)N.
What is the InChIKey of N"-(diaminomethyl)methanetriamine?
The InChIKey is OXYGMNLSFNEIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H11N5/c3-1(4)7-2(5)6/h1-2,7H,3-6H2.
What are the key properties of N"-(diaminomethyl)methanetriamine?
N"-(diaminomethyl)methanetriamine has a molecular weight of 105.14 g/mol, XLogP of -3.02, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(diaminomethyl)methanetriamine is sourced from PubChem (CID 101272738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).