N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine

C8H21N3 — CID 170744113

IUPACN-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
SMILESCCNCCCNCCNC
InChIInChI=1S/C8H21N3/c1-3-10-5-4-6-11-8-7-9-2/h9-11H,3-8H2,1-2H3
InChIKeyIBAQFBFVDMAOCT-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.20
Rot. Bonds8

About N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine

N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine (PubChem CID 170744113) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
PubChem CID170744113
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC NameN-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
SMILESCCNCCCNCCNC
InChIInChI=1S/C8H21N3/c1-3-10-5-4-6-11-8-7-9-2/h9-11H,3-8H2,1-2H3
InChIKeyIBAQFBFVDMAOCT-UHFFFAOYSA-N
XLogP-0.20
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 5-0.20
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

N'-[3-(ethylamino)propyl]-N-[3-(methylamino)propyl]heptane-1,7-diamine
CID 19698839
N'-[2-[2-(butylamino)ethylamino]ethyl]-N-[2-(ethylamino)ethyl]propane-1,3-diamine
CID 25107796
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168
copper;N-[2-(methylamino)ethyl]-N'-[2-[2-(methylamino)ethylamino]ethyl]propane-1,3-diamine;diperchlorate
CID 139057101
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N,N'-dimethylpropane-1,3-diamine;N-ethylpentan-1-amine;N-methylbutan-1-amine;N-methylhexan-1-amine
CID 165044270
N-methylmethanamine;N-methyl-N'-[2-(methylamino)ethyl]ethane-1,2-diamine
CID 143227011
N-methyl-N'-[3-[6-[3-(methylamino)propylamino]hexylamino]propyl]hexane-1,6-diamine
CID 165341427
N-ethyl-N'-hexylethane-1,2-diamine
CID 7171940
N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine (CID 170744113) is N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine is CCNCCCNCCNC.
What is the InChIKey of N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
The InChIKey is IBAQFBFVDMAOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-3-10-5-4-6-11-8-7-9-2/h9-11H,3-8H2,1-2H3.
What are the key properties of N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine has a molecular weight of 159.28 g/mol, XLogP of -0.20, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 170744113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).