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

C12H28N2 — CID 61386892

IUPACN'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
SMILESCCCCN(CC)CCCNCCC
InChIInChI=1S/C12H28N2/c1-4-7-11-14(6-3)12-8-10-13-9-5-2/h13H,4-12H2,1-3H3
InChIKeyFHMLBRNZQHPLDM-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.50
Rot. Bonds10

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

N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine (PubChem CID 61386892) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
PubChem CID61386892
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC NameN'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
SMILESCCCCN(CC)CCCNCCC
InChIInChI=1S/C12H28N2/c1-4-7-11-14(6-3)12-8-10-13-9-5-2/h13H,4-12H2,1-3H3
InChIKeyFHMLBRNZQHPLDM-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.50
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'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
N'-ethyl-N'-[3-(propylamino)propyl]propane-1,3-diamine
CID 20833349
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N',N'-bis(2-aminoethyl)-N-propylpropane-1,3-diamine
CID 20586475
N'-ethyl-N'-pentyl-N-propylmethanediamine
CID 123257477
decane;N,N-diethylbutan-1-amine;N,N-diethylethanamine;N,N-diethylhexan-1-amine;N,N-diethylpentan-1-amine;N,N-diethylpropan-1-amine;N-ethylpentan-1-amine;N-ethylpropan-1-amine;heptane;hexane;nonane;octane;pentane;N-propylpentan-1-amine;N-propylpropan-1-amine
CID 167691953
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N'-ethyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386623
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
N'-butyl-N'-ethyl-N-propan-2-ylpropane-1,3-diamine
CID 60853451
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine (CID 61386892) is N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine is CCCCN(CC)CCCNCCC.
What is the InChIKey of N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine?
The InChIKey is FHMLBRNZQHPLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-4-7-11-14(6-3)12-8-10-13-9-5-2/h13H,4-12H2,1-3H3.
What are the key properties of N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine?
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 61386892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).