N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

C14H31N3 — CID 63699135

IUPACN'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCNCC1(CN(C)CCN(C)C)CCCC1
InChIInChI=1S/C14H31N3/c1-5-15-12-14(8-6-7-9-14)13-17(4)11-10-16(2)3/h15H,5-13H2,1-4H3
InChIKeyCZSMIZUEONTZOW-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.65
Rot. Bonds8

About N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine

N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 63699135) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
PubChem CID63699135
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
SMILESCCNCC1(CN(C)CCN(C)C)CCCC1
InChIInChI=1S/C14H31N3/c1-5-15-12-14(8-6-7-9-14)13-17(4)11-10-16(2)3/h15H,5-13H2,1-4H3
InChIKeyCZSMIZUEONTZOW-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62255885
3-[[1-(ethylaminomethyl)cycloheptyl]methyl-methylamino]propan-1-ol
CID 114230934
1-[[[1-(ethylaminomethyl)cyclopentyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105417297
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63493661
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957
N'-[[1-(bromomethyl)cyclobutyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 65009044
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,3-dimethylbutan-2-amine
CID 55051780
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
2-N-ethyl-2-N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191325
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
N-[[1-[[methyl(thiophen-3-ylmethyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 62257148

Frequently Asked Questions

What is the IUPAC name of N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine (CID 63699135) is N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is CCNCC1(CN(C)CCN(C)C)CCCC1.
What is the InChIKey of N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is CZSMIZUEONTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-5-15-12-14(8-6-7-9-14)13-17(4)11-10-16(2)3/h15H,5-13H2,1-4H3.
What are the key properties of N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine?
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 63699135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).