propan-2-yl 3-(aminomethyl)hexanoate

C10H21NO2 — CID 145079100

IUPACpropan-2-yl 3-(aminomethyl)hexanoate
SMILESCCCC(CN)CC(=O)OC(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-9(7-11)6-10(12)13-8(2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyPSKMOCNXYXQCLH-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.70
Rot. Bonds6

About propan-2-yl 3-(aminomethyl)hexanoate

propan-2-yl 3-(aminomethyl)hexanoate (PubChem CID 145079100) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is propan-2-yl 3-(aminomethyl)hexanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(aminomethyl)hexanoate
PubChem CID145079100
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namepropan-2-yl 3-(aminomethyl)hexanoate
SMILESCCCC(CN)CC(=O)OC(C)C
InChIInChI=1S/C10H21NO2/c1-4-5-9(7-11)6-10(12)13-8(2)3/h8-9H,4-7,11H2,1-3H3
InChIKeyPSKMOCNXYXQCLH-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(aminomethyl)hexanoate?
The IUPAC name of propan-2-yl 3-(aminomethyl)hexanoate (CID 145079100) is propan-2-yl 3-(aminomethyl)hexanoate.
What is the SMILES notation for propan-2-yl 3-(aminomethyl)hexanoate?
The canonical SMILES for propan-2-yl 3-(aminomethyl)hexanoate is CCCC(CN)CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-(aminomethyl)hexanoate?
The InChIKey is PSKMOCNXYXQCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-9(7-11)6-10(12)13-8(2)3/h8-9H,4-7,11H2,1-3H3.
What are the key properties of propan-2-yl 3-(aminomethyl)hexanoate?
propan-2-yl 3-(aminomethyl)hexanoate has a molecular weight of 187.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(aminomethyl)hexanoate is sourced from PubChem (CID 145079100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).