N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine

C6H17N3 — CID 11412401

IUPACN'-(2-aminoethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCN)CCCN
InChIInChI=1S/C6H17N3/c1-9(6-4-8)5-2-3-7/h2-8H2,1H3
InChIKeyZFQTXVDBSYNXDE-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.77
Rot. Bonds5

About N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine

N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine (PubChem CID 11412401) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-aminoethyl)-N'-methylpropane-1,3-diamine
PubChem CID11412401
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC NameN'-(2-aminoethyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCN)CCCN
InChIInChI=1S/C6H17N3/c1-9(6-4-8)5-2-3-7/h2-8H2,1H3
InChIKeyZFQTXVDBSYNXDE-UHFFFAOYSA-N
XLogP-0.77
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine (CID 11412401) is N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine is CN(CCN)CCCN.
What is the InChIKey of N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine?
The InChIKey is ZFQTXVDBSYNXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-9(6-4-8)5-2-3-7/h2-8H2,1H3.
What are the key properties of N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine?
N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine has a molecular weight of 131.22 g/mol, XLogP of -0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminoethyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 11412401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).