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

C9H23N3 — CID 142226092

IUPACN'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
SMILESCCN(CCCNC)CCNC
InChIInChI=1S/C9H23N3/c1-4-12(9-7-11-3)8-5-6-10-2/h10-11H,4-9H2,1-3H3
InChIKeyLUZHZNBQSUJMHG-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.14
Rot. Bonds8

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

N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine (PubChem CID 142226092) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
PubChem CID142226092
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC NameN'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine
SMILESCCN(CCCNC)CCNC
InChIInChI=1S/C9H23N3/c1-4-12(9-7-11-3)8-5-6-10-2/h10-11H,4-9H2,1-3H3
InChIKeyLUZHZNBQSUJMHG-UHFFFAOYSA-N
XLogP0.14
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N',N'-diethyl-N-methylpropane-1,3-diamine;molecular hydrogen;propane
CID 156874721
N'-ethyl-N-methyl-N'-(4-methylpentyl)ethane-1,2-diamine
CID 134316858
N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 21015837
N'-ethyl-N-methyl-N'-[3-(methylideneamino)propyl]propane-1,3-diamine
CID 89212435
2-[ethyl-[2-(methylamino)ethyl]amino]ethanol;formaldehyde
CID 143070492
N'-[3-(dimethylamino)propyl]-N'-ethyl-N-methylhexane-1,6-diamine
CID 102997503
N'-[[2-[3-(dimethylamino)propyl]hydrazinyl]methyl]-N'-ethyl-N-methylethane-1,2-diamine
CID 139553651
N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 58803335
N'-[3-[cyclopropyl(oxetan-3-yl)amino]propyl]-N'-ethyl-N-methylpropane-1,3-diamine
CID 145216933
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine
CID 142870975
N,N-dimethyl-N'-[2-(methylamino)ethyl]-N'-propylpropane-1,3-diamine
CID 114525574

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine (CID 142226092) is N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine is CCN(CCCNC)CCNC.
What is the InChIKey of N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
The InChIKey is LUZHZNBQSUJMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-4-12(9-7-11-3)8-5-6-10-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine?
N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-[2-(methylamino)ethyl]propane-1,3-diamine is sourced from PubChem (CID 142226092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).