1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine

C13H28N2 — CID 104744662

IUPAC1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CC(NC)C1CCCC1
InChIInChI=1S/C13H28N2/c1-4-10-15(5-2)11-13(14-3)12-8-6-7-9-12/h12-14H,4-11H2,1-3H3
InChIKeyDXCHUIPKENYYJH-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.50
Rot. Bonds7

About 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine

1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine (PubChem CID 104744662) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
PubChem CID104744662
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CC(NC)C1CCCC1
InChIInChI=1S/C13H28N2/c1-4-10-15(5-2)11-13(14-3)12-8-6-7-9-12/h12-14H,4-11H2,1-3H3
InChIKeyDXCHUIPKENYYJH-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-cyclopentyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992550
N'-[2-cyclopropyl-2-(methylamino)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992594
1-cyclohexyl-N-methyl-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 104745631
N',N'-dibutyl-1-cyclopropyl-N-methylethane-1,2-diamine
CID 63912327
1-cyclopentyl-N'-[2-(dimethylamino)ethyl]-N,N'-dipropylethane-1,2-diamine
CID 104745709
N'-butyl-1-cyclopentyl-N'-cyclopropyl-N-methylethane-1,2-diamine
CID 104745297
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
N'-ethyl-N,N-dimethyl-N'-[2-(methylamino)-2-(oxolan-3-yl)ethyl]propane-1,3-diamine
CID 102992372
N',N'-dibutyl-1-cyclohexyl-N-propylethane-1,2-diamine
CID 104744588
1-cyclohexyl-N,N'-diethyl-N'-(2-ethylbutyl)ethane-1,2-diamine
CID 104745245

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine?
The IUPAC name of 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine (CID 104744662) is 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine?
The canonical SMILES for 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine is CCCN(CC)CC(NC)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine?
The InChIKey is DXCHUIPKENYYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-4-10-15(5-2)11-13(14-3)12-8-6-7-9-12/h12-14H,4-11H2,1-3H3.
What are the key properties of 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine?
1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N'-ethyl-N-methyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 104744662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).