N'-ethyl-N'-pentyl-N-propylmethanediamine

C11H26N2 — CID 123257477

IUPACN'-ethyl-N'-pentyl-N-propylmethanediamine
SMILESCCCCCN(CC)CNCCC
InChIInChI=1S/C11H26N2/c1-4-7-8-10-13(6-3)11-12-9-5-2/h12H,4-11H2,1-3H3
InChIKeyDEMOWOLFPUMQJA-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.46
Rot. Bonds9

About N'-ethyl-N'-pentyl-N-propylmethanediamine

N'-ethyl-N'-pentyl-N-propylmethanediamine (PubChem CID 123257477) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N'-ethyl-N'-pentyl-N-propylmethanediamine.

Molecular Properties

Compound NameN'-ethyl-N'-pentyl-N-propylmethanediamine
PubChem CID123257477
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN'-ethyl-N'-pentyl-N-propylmethanediamine
SMILESCCCCCN(CC)CNCCC
InChIInChI=1S/C11H26N2/c1-4-7-8-10-13(6-3)11-12-9-5-2/h12H,4-11H2,1-3H3
InChIKeyDEMOWOLFPUMQJA-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-butyl-N'-ethyl-N-propylethane-1,2-diamine
CID 61386883
N-decyl-N',N'-diethyloctane-1,8-diamine
CID 54513384
N'-butyl-N'-ethyl-N-propylpropane-1,3-diamine
CID 61386892
N-butyl-N-ethylbutan-1-amine;N-ethyl-N-pentylpentan-1-amine
CID 160957267
N,N'-diethyl-N'-hexadecylethane-1,2-diamine
CID 154098014
N',N'-dibutyl-N-[(dibutylamino)methyl]methanediamine
CID 164579535
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'-hexadecyl-N-[2-[hexadecyl(octadecyl)amino]ethyl]-N'-octadecylethane-1,2-diamine
CID 21492340
N,N-dioctyloctan-1-amine;N-octyloctan-1-amine
CID 87111202
N-ethyl-N-propyldecan-1-amine
CID 56933807
N,N,N'-triethyl-N'-tetradecylpropane-1,3-diamine
CID 19837420
N'-butyl-N-methyl-N'-[2-(propylamino)ethyl]ethane-1,2-diamine
CID 58312291

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-pentyl-N-propylmethanediamine?
The IUPAC name of N'-ethyl-N'-pentyl-N-propylmethanediamine (CID 123257477) is N'-ethyl-N'-pentyl-N-propylmethanediamine.
What is the SMILES notation for N'-ethyl-N'-pentyl-N-propylmethanediamine?
The canonical SMILES for N'-ethyl-N'-pentyl-N-propylmethanediamine is CCCCCN(CC)CNCCC.
What is the InChIKey of N'-ethyl-N'-pentyl-N-propylmethanediamine?
The InChIKey is DEMOWOLFPUMQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-7-8-10-13(6-3)11-12-9-5-2/h12H,4-11H2,1-3H3.
What are the key properties of N'-ethyl-N'-pentyl-N-propylmethanediamine?
N'-ethyl-N'-pentyl-N-propylmethanediamine has a molecular weight of 186.34 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-pentyl-N-propylmethanediamine is sourced from PubChem (CID 123257477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).