propyl 1-aminocycloheptane-1-carboxylate

C11H21NO2 — CID 43248011

IUPACpropyl 1-aminocycloheptane-1-carboxylate
SMILESCCCOC(=O)C1(N)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-9-14-10(13)11(12)7-5-3-4-6-8-11/h2-9,12H2,1H3
InChIKeyKMCUWOCVBXVAJO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.99
Rot. Bonds3

About propyl 1-aminocycloheptane-1-carboxylate

propyl 1-aminocycloheptane-1-carboxylate (PubChem CID 43248011) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is propyl 1-aminocycloheptane-1-carboxylate.

Molecular Properties

Compound Namepropyl 1-aminocycloheptane-1-carboxylate
PubChem CID43248011
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepropyl 1-aminocycloheptane-1-carboxylate
SMILESCCCOC(=O)C1(N)CCCCCC1
InChIInChI=1S/C11H21NO2/c1-2-9-14-10(13)11(12)7-5-3-4-6-8-11/h2-9,12H2,1H3
InChIKeyKMCUWOCVBXVAJO-UHFFFAOYSA-N
XLogP1.99
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

octyl 1-aminocyclohexane-1-carboxylate
CID 61303894
hexyl 1-aminocyclohexane-1-carboxylate
CID 61301911
dodecyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 155387692
propyl 1-amino-4-oxocyclohexane-1-carboxylate
CID 153351998
2-(dimethylamino)ethyl 1-aminocyclohexane-1-carboxylate
CID 146470372
2-methylpentyl 1-aminocycloheptane-1-carboxylate
CID 103284238
2-cyclopropylethyl 1-aminocyclopentane-1-carboxylate
CID 106202522
2-methylpropyl 1-aminocyclopentane-1-carboxylate;hydrochloride
CID 21144157
1-propoxycarbonylcyclobutane-1-carboxylic acid
CID 90449505
4-methylpentyl 1-aminocyclobutane-1-carboxylate
CID 81160956
propyl 7-hydroxydispiro[2.0.24.13]heptane-7-carboxylate
CID 139428618
cyclopentylmethyl 1-aminocycloheptane-1-carboxylate
CID 66321581

Frequently Asked Questions

What is the IUPAC name of propyl 1-aminocycloheptane-1-carboxylate?
The IUPAC name of propyl 1-aminocycloheptane-1-carboxylate (CID 43248011) is propyl 1-aminocycloheptane-1-carboxylate.
What is the SMILES notation for propyl 1-aminocycloheptane-1-carboxylate?
The canonical SMILES for propyl 1-aminocycloheptane-1-carboxylate is CCCOC(=O)C1(N)CCCCCC1.
What is the InChIKey of propyl 1-aminocycloheptane-1-carboxylate?
The InChIKey is KMCUWOCVBXVAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-2-9-14-10(13)11(12)7-5-3-4-6-8-11/h2-9,12H2,1H3.
What are the key properties of propyl 1-aminocycloheptane-1-carboxylate?
propyl 1-aminocycloheptane-1-carboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 1-aminocycloheptane-1-carboxylate is sourced from PubChem (CID 43248011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).