N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine

C17H37N3 — CID 102992550

IUPACN'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(NC)C1CCCC1
InChIInChI=1S/C17H37N3/c1-5-19(6-2)13-10-14-20(7-3)15-17(18-4)16-11-8-9-12-16/h16-18H,5-15H2,1-4H3
InChIKeyVIABYRFXDSIXFB-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.82
Rot. Bonds11

About N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992550) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992550
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)CC(NC)C1CCCC1
InChIInChI=1S/C17H37N3/c1-5-19(6-2)13-10-14-20(7-3)15-17(18-4)16-11-8-9-12-16/h16-18H,5-15H2,1-4H3
InChIKeyVIABYRFXDSIXFB-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
CID 104744662
N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63912327
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745631
N'-butyl-1-cyclopentyl-N'-cyclopropyl-N-methylethane-1,2-diamine
CID 104745297
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)-N-methylethane-1,2-diamine
CID 82965868
1-cyclopentyl-N'-(cyclopropylmethyl)-N,N'-diethylethane-1,2-diamine
CID 104746400
N'-cyclohexyl-1-cyclopropyl-N'-ethyl-N-methylethane-1,2-diamine
CID 63912104
4-N-(1-cyclohexylethyl)-1-N,1-N-diethylpentane-1,4-diamine
CID 43761162
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245

Frequently Asked Questions

What is the IUPAC name of N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992550) is N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)CC(NC)C1CCCC1.
What is the InChIKey of N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is VIABYRFXDSIXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-5-19(6-2)13-10-14-20(7-3)15-17(18-4)16-11-8-9-12-16/h16-18H,5-15H2,1-4H3.
What are the key properties of N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.82, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).