2-N-[2-(methylamino)ethyl]propane-1,2-diamine

C6H17N3 — CID 91508922

IUPAC2-N-[2-(methylamino)ethyl]propane-1,2-diamine
SMILESCNCCNC(C)CN
InChIInChI=1S/C6H17N3/c1-6(5-7)9-4-3-8-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyXTLWAFQHXHAQMR-UHFFFAOYSA-N
MW131.22 g/mol
LogP-0.86
Rot. Bonds5

About 2-N-[2-(methylamino)ethyl]propane-1,2-diamine

2-N-[2-(methylamino)ethyl]propane-1,2-diamine (PubChem CID 91508922) has the molecular formula C6H17N3 and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-N-[2-(methylamino)ethyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(methylamino)ethyl]propane-1,2-diamine
PubChem CID91508922
Molecular FormulaC6H17N3
Molecular Weight131.22 g/mol
Exact Mass131.14
IUPAC Name2-N-[2-(methylamino)ethyl]propane-1,2-diamine
SMILESCNCCNC(C)CN
InChIInChI=1S/C6H17N3/c1-6(5-7)9-4-3-8-2/h6,8-9H,3-5,7H2,1-2H3
InChIKeyXTLWAFQHXHAQMR-UHFFFAOYSA-N
XLogP-0.86
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 90769652
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CID 54076736
2-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1,2-diamine
CID 103389816
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2-N-[2-(methyldisulfanyl)ethyl]propane-1,2-diamine
CID 130899234
2-N-(3-methylsulfanylbutyl)propane-1,2-diamine
CID 103391056
(2R)-2-N-(2-methylsulfonylethyl)propane-1,2-diamine
CID 104867919
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
2-N-(2-pyrrolidin-1-ylethyl)propane-1,2-diamine
CID 103387444
2-N-[2-(3-methylbutoxy)ethyl]propane-1,2-diamine
CID 103389691
butane-1,2-diamine;N,N'-dimethylethane-1,2-diamine
CID 87410830

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(methylamino)ethyl]propane-1,2-diamine?
The IUPAC name of 2-N-[2-(methylamino)ethyl]propane-1,2-diamine (CID 91508922) is 2-N-[2-(methylamino)ethyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(methylamino)ethyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[2-(methylamino)ethyl]propane-1,2-diamine is CNCCNC(C)CN.
What is the InChIKey of 2-N-[2-(methylamino)ethyl]propane-1,2-diamine?
The InChIKey is XTLWAFQHXHAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17N3/c1-6(5-7)9-4-3-8-2/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 2-N-[2-(methylamino)ethyl]propane-1,2-diamine?
2-N-[2-(methylamino)ethyl]propane-1,2-diamine has a molecular weight of 131.22 g/mol, XLogP of -0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(methylamino)ethyl]propane-1,2-diamine is sourced from PubChem (CID 91508922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).