N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine

C9H22N2 — CID 61386623

IUPACN'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)CC
InChIInChI=1S/C9H22N2/c1-4-7-10-8-6-9-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyFWTSEXLRZKQRDK-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.33
Rot. Bonds7

About N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine

N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 61386623) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID61386623
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC NameN'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNCCCN(C)CC
InChIInChI=1S/C9H22N2/c1-4-7-10-8-6-9-11(3)5-2/h10H,4-9H2,1-3H3
InChIKeyFWTSEXLRZKQRDK-UHFFFAOYSA-N
XLogP1.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N'-ethyl-N'-methyl-N-(4-methylpentyl)propane-1,3-diamine
CID 167108595
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N',N'-dimethyl-N-propylbutane-1,4-diamine;ethane
CID 178117503
N'-butyl-N-ethyl-N'-methylpropane-1,3-diamine
CID 61386866
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N'-methyl-N'-(2-methylpropyl)-N-propylpentane-1,5-diamine
CID 62421110
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
N'-ethyl-N,N'-dimethylpropane-1,3-diamine;N-ethyl-N-methylbutan-1-amine;N,N',N'-triethylpropane-1,3-diamine
CID 159847702
N-[2-(propylamino)ethyl]-N'-[2-[2-[2-[3-[2-(propylamino)ethylamino]propylamino]ethylamino]ethylamino]ethyl]propane-1,3-diamine
CID 21145819

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine (CID 61386623) is N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine is CCCNCCCN(C)CC.
What is the InChIKey of N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is FWTSEXLRZKQRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-4-7-10-8-6-9-11(3)5-2/h10H,4-9H2,1-3H3.
What are the key properties of N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine?
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 61386623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).