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

C11H26N2 — CID 61386627

IUPACN-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CCCNCC
InChIInChI=1S/C11H26N2/c1-4-6-7-10-13(3)11-8-9-12-5-2/h12H,4-11H2,1-3H3
InChIKeyHLRXKDRLILBHQG-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.11
Rot. Bonds9

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

N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine (PubChem CID 61386627) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
PubChem CID61386627
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC NameN-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine
SMILESCCCCCN(C)CCCNCC
InChIInChI=1S/C11H26N2/c1-4-6-7-10-13(3)11-8-9-12-5-2/h12H,4-11H2,1-3H3
InChIKeyHLRXKDRLILBHQG-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
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'-methylpropane-1,3-diamine
CID 61386866
N'-decyl-N-ethyl-N'-methylethane-1,2-diamine
CID 63526975
N'-methyl-N'-pentyl-N-propylpropane-1,3-diamine
CID 61386626
N'-butyl-N'-methyl-N-pentylbutane-1,4-diamine
CID 170176029
N',N'-dimethyl-N-[2-[methyl(pentyl)amino]ethyl]propane-1,3-diamine
CID 62560197
N,N'-diethyl-N'-methylbutane-1,4-diamine
CID 62418557
N-butyl-N-methylpentan-1-amine
CID 54060013
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine (CID 61386627) is N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine is CCCCCN(C)CCCNCC.
What is the InChIKey of N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine?
The InChIKey is HLRXKDRLILBHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-6-7-10-13(3)11-8-9-12-5-2/h12H,4-11H2,1-3H3.
What are the key properties of N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine?
N-ethyl-N'-methyl-N'-pentylpropane-1,3-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.11, 9 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'-pentylpropane-1,3-diamine is sourced from PubChem (CID 61386627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).