propyl 4-(aminomethyl)cyclohexane-1-carboxylate

C11H21NO2 — CID 79524646

IUPACpropyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H21NO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h9-10H,2-8,12H2,1H3
InChIKeyRLHMTGFJYOYNNI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds4

About propyl 4-(aminomethyl)cyclohexane-1-carboxylate

propyl 4-(aminomethyl)cyclohexane-1-carboxylate (PubChem CID 79524646) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propyl 4-(aminomethyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namepropyl 4-(aminomethyl)cyclohexane-1-carboxylate
PubChem CID79524646
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropyl 4-(aminomethyl)cyclohexane-1-carboxylate
SMILESCCCOC(=O)C1CCC(CN)CC1
InChIInChI=1S/C11H21NO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h9-10H,2-8,12H2,1H3
InChIKeyRLHMTGFJYOYNNI-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The IUPAC name of propyl 4-(aminomethyl)cyclohexane-1-carboxylate (CID 79524646) is propyl 4-(aminomethyl)cyclohexane-1-carboxylate.
What is the SMILES notation for propyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The canonical SMILES for propyl 4-(aminomethyl)cyclohexane-1-carboxylate is CCCOC(=O)C1CCC(CN)CC1.
What is the InChIKey of propyl 4-(aminomethyl)cyclohexane-1-carboxylate?
The InChIKey is RLHMTGFJYOYNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-7-14-11(13)10-5-3-9(8-12)4-6-10/h9-10H,2-8,12H2,1H3.
What are the key properties of propyl 4-(aminomethyl)cyclohexane-1-carboxylate?
propyl 4-(aminomethyl)cyclohexane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-(aminomethyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79524646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).