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

C13H28N2 — CID 63829803

IUPACN-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CNCC1(C)CCCC1
InChIInChI=1S/C13H28N2/c1-4-14-9-12(2)10-15-11-13(3)7-5-6-8-13/h12,14-15H,4-11H2,1-3H3
InChIKeyOOUTURUFNGFZSK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.40
Rot. Bonds7

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

N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine (PubChem CID 63829803) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
PubChem CID63829803
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)CNCC1(C)CCCC1
InChIInChI=1S/C13H28N2/c1-4-14-9-12(2)10-15-11-13(3)7-5-6-8-13/h12,14-15H,4-11H2,1-3H3
InChIKeyOOUTURUFNGFZSK-UHFFFAOYSA-N
XLogP2.40
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The IUPAC name of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine (CID 63829803) is N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The canonical SMILES for N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine is CCNCC(C)CNCC1(C)CCCC1.
What is the InChIKey of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
The InChIKey is OOUTURUFNGFZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-14-9-12(2)10-15-11-13(3)7-5-6-8-13/h12,14-15H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine?
N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 63829803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).