2-cyclopropylethyl 4-(2-aminoethyl)heptanoate

C14H27NO2 — CID 114157607

IUPAC2-cyclopropylethyl 4-(2-aminoethyl)heptanoate
SMILESCCCC(CCN)CCC(=O)OCCC1CC1
InChIInChI=1S/C14H27NO2/c1-2-3-12(8-10-15)6-7-14(16)17-11-9-13-4-5-13/h12-13H,2-11,15H2,1H3
InChIKeyXLCZEEKEHKZLQB-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.88
Rot. Bonds10

About 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate

2-cyclopropylethyl 4-(2-aminoethyl)heptanoate (PubChem CID 114157607) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 4-(2-aminoethyl)heptanoate
PubChem CID114157607
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-cyclopropylethyl 4-(2-aminoethyl)heptanoate
SMILESCCCC(CCN)CCC(=O)OCCC1CC1
InChIInChI=1S/C14H27NO2/c1-2-3-12(8-10-15)6-7-14(16)17-11-9-13-4-5-13/h12-13H,2-11,15H2,1H3
InChIKeyXLCZEEKEHKZLQB-UHFFFAOYSA-N
XLogP2.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentylmethyl 4-(2-aminoethyl)heptanoate
CID 66323726
(4,4-dimethylcyclohexyl) 4-(2-aminoethyl)heptanoate
CID 114341582
2-cyclopentylethyl butanoate
CID 142409115
2-aminoethyl 3-cyclopropylpropanoate
CID 174465831
4-(2-aminoethyl)-1-cyclohexylheptan-1-one
CID 116582773
propyl 3-(4-ethylcyclohexyl)propanoate
CID 59863738
2-cyclopropylethyl 3-(propan-2-ylamino)propanoate
CID 106202501
2-piperidin-4-ylethyl butanoate
CID 174737441
9-cyclopropylnonyl butanoate
CID 21445863
propyl 3-cyclopentylpropanoate
CID 43389546
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827
13-cyclopropyltridecyl pentanoate
CID 54121613

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate?
The IUPAC name of 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate (CID 114157607) is 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate.
What is the SMILES notation for 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate?
The canonical SMILES for 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate is CCCC(CCN)CCC(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate?
The InChIKey is XLCZEEKEHKZLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-12(8-10-15)6-7-14(16)17-11-9-13-4-5-13/h12-13H,2-11,15H2,1H3.
What are the key properties of 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate?
2-cyclopropylethyl 4-(2-aminoethyl)heptanoate has a molecular weight of 241.37 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 4-(2-aminoethyl)heptanoate is sourced from PubChem (CID 114157607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).